| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 43.5 | Very low | 47.7 | Very low | 234 Ų | 234 | 160.8 Ų | 160.8 | 100% | 1.153 | 83% | 0.83 | S | S | * | * | 0 | 126.9 | 0 | -75.1 | 166.7 | 160.9 | 0 | 0 | 106.2 | |||||
| 2 | S | 46.8 | Very low | 47.8 | Very low | 102 Ų | 102 | 158.3 Ų | 158.3 | 71% | 0.713 | 82% | 0.818 | S | S | * | * | trans | 35.9 | 136.3 | 155.7 | 56 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 3 | D | 45.1 | Very low | 47.5 | Very low | 148 Ų | 148 | 162.4 Ų | 162.4 | 79% | 0.791 | 83% | 0.827 | S | S | * | * | cis | -165.7 | 123.3 | -11.3 | -99.9 | -63.3 | 0 | 0 | 0 | 103.7 | ||||
| 4 | A | 48.7 | Very low | 47.9 | Very low | 79 Ų | 79 | 164.6 Ų | 164.6 | 65% | 0.653 | 83% | 0.832 | S | S | * | * | 65.8 | 92.8 | 90.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 5 | R | 49.2 | Very low | 47.4 | Very low | 241 Ų | 241 | 167.1 Ų | 167.1 | 91% | 0.909 | 84% | 0.84 | S | S | * | * | 165.4 | 127.9 | 104 | -90.2 | 170.9 | -179 | 148.9 | 3.5 | 114.1 | |||||
| 6 | D | 48 | Very low | 47.2 | Very low | 146 Ų | 146 | 161.4 Ų | 161.4 | 78% | 0.781 | 84% | 0.837 | S | S | * | * | trans | -73.9 | 158.3 | 161.2 | -47.5 | -87.3 | 0 | 0 | 0 | 111.6 | ||||
| 7 | N | 52.9 | Low | 46.7 | Very low | 169 Ų | 169 | 159.3 Ų | 159.3 | 90% | 0.904 | 84% | 0.839 | S | S | * | * | -174.1 | 139.4 | 107.4 | -92.7 | -18 | 0 | 0 | 0 | 111.6 | |||||
| 8 | D | 48.5 | Very low | 46.2 | Very low | 150 Ų | 150 | 162.2 Ų | 162.2 | 80% | 0.802 | 84% | 0.838 | S | S | * | * | trans | -113.2 | 171.2 | -179.5 | -160.7 | 3.9 | 0 | 0 | 0 | 110 | ||||
| 9 | D | 46.5 | Very low | 46.1 | Very low | 153 Ų | 153 | 159.2 Ų | 159.2 | 82% | 0.818 | 83% | 0.833 | S | S | * | * | trans | -31.7 | 140.6 | -178.5 | -72.9 | -33.8 | 0 | 0 | 0 | 117.9 | ||||
| 10 | R | 50.7 | Low | 45.7 | Very low | 219 Ų | 219 | 159.6 Ų | 159.6 | 83% | 0.826 | 83% | 0.83 | S | S | * | * | -170.4 | 136.2 | 121 | -166.3 | 162.4 | 177.3 | 129.5 | -1.6 | 113.1 | D12 | R10-D12 IonicContact NE-OD2 3.82Å; R10-D12 PolarHBondContact NE-OD2 3.14Å; R10-D12 IonicContact NH2-OD2 2.68Å | |||
| 11 | V | 45.1 | Very low | 45.5 | Very low | 128 Ų | 128 | 160.1 Ų | 160.1 | 78% | 0.776 | 83% | 0.831 | S | S | * | * | trans | -98.5 | 138.7 | 167.7 | -72.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 12 | D | 48.6 | Very low | 45.3 | Very low | 130 Ų | 130 | 156.2 Ų | 156.2 | 70% | 0.695 | 81% | 0.81 | S | S | * | * | trans | -155.6 | 124.6 | 158.6 | -85.1 | -52.8 | 0 | 0 | 0 | 106.4 | R10 | R10-D12 IonicContact NE-OD2 3.82Å; R10-D12 PolarHBondContact NE-OD2 3.14Å; R10-D12 IonicContact NH2-OD2 2.68Å | ||
| 13 | F | 44.4 | Very low | 45 | Very low | 212 Ų | 212 | 153.9 Ų | 153.9 | 93% | 0.93 | 79% | 0.789 | S | S | * | * | trans | -126.2 | 109.6 | 174.8 | -106.9 | -81.9 | 0 | 0 | 0 | 108.1 | ||||
| 14 | E | 52.2 | Low | 44.8 | Very low | 193 Ų | 193 | 156.1 Ų | 156.1 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | trans | -86.5 | 155.3 | 177.6 | -71.8 | -172.1 | 144.2 | 0 | 0 | 112.6 | ||||
| 15 | E | 41.2 | Very low | 44.5 | Very low | 202 Ų | 202 | 158 Ų | 158 | 94% | 0.944 | 80% | 0.798 | S | S | * | * | trans | -85.4 | 125.8 | -173 | -172.8 | 171.7 | -166.8 | 0 | 0 | 111.1 | ||||
| 16 | G | 43 | Very low | 44.1 | Very low | 77 Ų | 77 | 155.9 Ų | 155.9 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | trans | -113.1 | 116.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 17 | S | 39.7 | Very low | 43.5 | Very low | 125 Ų | 125 | 157.8 Ų | 157.8 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | trans | -62.4 | 144.4 | -173.9 | -168.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 18 | Y | 37.9 | Very low | 43 | Very low | 211 Ų | 211 | 159 Ų | 159 | 83% | 0.827 | 80% | 0.803 | S | S | * | * | trans | -80.3 | 154.7 | 169.2 | -159.2 | -107 | 0 | 0 | 0 | 110.9 | ||||
| 19 | S | 43.2 | Very low | 42.4 | Very low | 105 Ų | 105 | 160.9 Ų | 160.9 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | trans | -146.6 | 130.5 | 173.2 | 60.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 20 | E | 37.8 | Very low | 42.1 | Very low | 167 Ų | 167 | 160 Ų | 160 | 78% | 0.78 | 81% | 0.807 | S | S | * | * | trans | -70.1 | 152.7 | -177.2 | -65.6 | 150.7 | 132.4 | 0 | 0 | 113.7 | ||||
| 21 | M | 43.2 | Very low | 41.6 | Very low | 172 Ų | 172 | 157.2 Ų | 157.2 | 85% | 0.847 | 80% | 0.803 | S | S | * | * | trans | -146 | 148.5 | 153.9 | -73.9 | -163.7 | -178.9 | 0 | 0 | 110.2 | ||||
| 22 | E | 37.8 | Very low | 41.2 | Very low | 151 Ų | 151 | 160 Ų | 160 | 71% | 0.706 | 81% | 0.808 | S | S | * | * | trans | -125.3 | 135.4 | -170.7 | -63.8 | 172.1 | 156.2 | 0 | 0 | 110.9 | Y381 | E22-Y381 HydrophobicContact CB-CD1 4.18Š| ||
| 23 | D | 41.9 | Very low | 40.8 | Very low | 53 Ų | 53 | 163.2 Ų | 163.2 | 28% | 0.283 | 81% | 0.812 | S | S | . | * | trans | -142.1 | 139.2 | 152.6 | -50.2 | -102.9 | 0 | 0 | 0 | 111.1 | Y381 G382 A383 A384 | D23-Y381 WeakPolarHBondContact O-CA 3.43Å; D23-Y381 WeakPolarHBondContact O-CD1 3.37Å; D23-G382 VanDerWaalsContact OD2-CA 3.27Å; D23-G382 WeakPolarHBondContact OD2-CA 3.33Å; D23-A383 WeakPolarHBondContact OD1-CA 3.47Å; D23-A384 PolarHBondContact OD1-N 2.78Å | ||
| 24 | E | 40.8 | Very low | 40.6 | Very low | 195 Ų | 195 | 161.4 Ų | 161.4 | 91% | 0.911 | 81% | 0.806 | S | S | * | * | trans | -76.9 | 168.3 | -172.1 | -64.5 | 163.6 | 123 | 0 | 0 | 114.1 | ||||
| 25 | V | 42 | Very low | 40 | Very low | 119 Ų | 119 | 161.4 Ų | 161.4 | 72% | 0.721 | 81% | 0.806 | S | S | * | * | trans | -118.4 | 135.6 | 174.3 | -146.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 26 | E | 40.9 | Very low | 40.1 | Very low | 197 Ų | 197 | 160 Ų | 160 | 92% | 0.921 | 80% | 0.8 | S | S | * | * | trans | -75.7 | 149.3 | 176.7 | -73.2 | -173.2 | 140.3 | 0 | 0 | 112.7 | ||||
| 27 | E | 35 | Very low | 40.1 | Very low | 185 Ų | 185 | 165.4 Ų | 165.4 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | trans | -84.3 | 127.1 | -176 | -57.4 | 173.8 | 160.8 | 0 | 0 | 112.2 | ||||
| 28 | E | 42.8 | Very low | 40.3 | Very low | 195 Ų | 195 | 168 Ų | 168 | 91% | 0.911 | 80% | 0.803 | S | S | * | * | trans | -110.6 | 126.5 | 156 | -84.7 | -164.8 | 146.4 | 0 | 0 | 110.2 | ||||
| 29 | Q | 35.6 | Very low | 40.4 | Very low | 189 Ų | 189 | 166.3 Ų | 166.3 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | trans | -71.9 | 130.7 | 178.5 | -68.7 | 149.5 | 67.2 | 0 | 0 | 110.7 | ||||
| 30 | V | 39.9 | Very low | 40.7 | Very low | 136 Ų | 136 | 168.6 Ų | 168.6 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | trans | -136.2 | 139 | 159.6 | -170.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 31 | E | 40.6 | Very low | 40.8 | Very low | 159 Ų | 159 | 168 Ų | 168 | 74% | 0.743 | 81% | 0.808 | S | S | * | * | trans | -79.3 | 156.8 | -154.6 | -57.7 | -176.1 | 149.8 | 0 | 0 | 115 | ||||
| 32 | E | 35.6 | Very low | 41.2 | Very low | 188 Ų | 188 | 167.5 Ų | 167.5 | 88% | 0.879 | 81% | 0.809 | S | S | * | * | trans | -58.1 | 131.9 | 165.9 | -85.4 | 169.4 | 136.9 | 0 | 0 | 110.6 | ||||
| 33 | Y | 40.3 | Very low | 41.5 | Very low | 196 Ų | 196 | 167.9 Ų | 167.9 | 77% | 0.769 | 82% | 0.816 | S | S | * | * | trans | -116.9 | 111.6 | 160.9 | -73.3 | -84.8 | 0 | 0 | 0 | 107.7 | ||||
| 34 | E | 40.1 | Very low | 41.8 | Very low | 175 Ų | 175 | 173.3 Ų | 173.3 | 82% | 0.818 | 85% | 0.845 | S | S | * | * | trans | -71.4 | 120.2 | 168.7 | -62.6 | 174.4 | 133.6 | 0 | 0 | 107.6 | E36 | E34-E36 PolarHBondContact O-N 2.69Š| ||
| 35 | E | 41.2 | Very low | 42 | Very low | 193 Ų | 193 | 170.4 Ų | 170.4 | 90% | 0.902 | 84% | 0.836 | S | S | * | * | trans | -83.3 | 101.9 | 165.9 | -75.9 | -174.8 | 158.6 | 0 | 0 | 107.5 | ||||
| 36 | E | 43.5 | Very low | 42.4 | Very low | 173 Ų | 173 | 171 Ų | 171 | 81% | 0.808 | 84% | 0.84 | S | S | * | * | trans | -68.5 | 137.5 | 171.9 | -63.3 | -174.6 | 143.1 | 0 | 0 | 109.8 | E34 E38 | E34-E36 PolarHBondContact O-N 2.69Å; E36-E38 PolarHBondContact O-N 2.82Å | ||
| 37 | E | 41.4 | Very low | 42.3 | Very low | 190 Ų | 190 | 164.7 Ų | 164.7 | 89% | 0.888 | 83% | 0.827 | S | S | * | * | trans | -74.4 | 115.7 | 173.3 | -63.1 | -174.2 | 162.2 | 0 | 0 | 109.1 | E39 | E37-E39 PolarHBondContact O-N 2.92Š| ||
| 38 | E | 44.6 | Very low | 42.6 | Very low | 180 Ų | 180 | 163.6 Ų | 163.6 | 84% | 0.841 | 83% | 0.828 | S | S | * | * | trans | -81.9 | 108.6 | 171.9 | -70.1 | -162.8 | 155.7 | 0 | 0 | 110.5 | E36 D40 | E36-E38 PolarHBondContact O-N 2.82Å; E38-D40 PolarHBondContact O-N 3.04Å | ||
| 39 | E | 40.9 | Very low | 42.5 | Very low | 175 Ų | 175 | 162.3 Ų | 162.3 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | trans | -77.8 | 98.3 | 166.5 | -66.1 | -179.9 | 144.6 | 0 | 0 | 109.7 | E37 D41 | E37-E39 PolarHBondContact O-N 2.92Å; E39-D41 PolarHBondContact O-N 3.14Å; E39-D41 VanDerWaalsContact O-N 3.11Å | ||
| 40 | D | 48.4 | Very low | 42.7 | Very low | 153 Ų | 153 | 161.3 Ų | 161.3 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | trans | -80.4 | 79.2 | 169.8 | -86.4 | -27.8 | 0 | 0 | 0 | 111 | E38 | E38-D40 PolarHBondContact O-N 3.04Š| ||
| 41 | D | 40.9 | Very low | 42.5 | Very low | 153 Ų | 153 | 159.3 Ų | 159.3 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | trans | -84.1 | 109.2 | 160.2 | -94.9 | -22.6 | 0 | 0 | 0 | 109.4 | E39 | E39-D41 PolarHBondContact O-N 3.14Å; E39-D41 VanDerWaalsContact O-N 3.11Å | ||
| 42 | D | 51.7 | Low | 42.7 | Very low | 163 Ų | 163 | 159.5 Ų | 159.5 | 87% | 0.872 | 82% | 0.821 | S | S | * | * | trans | -133.6 | 93.1 | 166 | -110.3 | -21.3 | 0 | 0 | 0 | 110 | ||||
| 43 | D | 44.3 | Very low | 42.9 | Very low | 159 Ų | 159 | 159.3 Ų | 159.3 | 85% | 0.85 | 82% | 0.82 | S | S | * | * | trans | -63.3 | 132.6 | 160.8 | -89.9 | -49.5 | 0 | 0 | 0 | 109.5 | ||||
| 44 | D | 48.1 | Very low | 43 | Very low | 167 Ų | 167 | 160.3 Ų | 160.3 | 89% | 0.893 | 82% | 0.822 | S | S | * | * | trans | -157.9 | 135.2 | 130.9 | -117.9 | -24.6 | 0 | 0 | 0 | 114.7 | ||||
| 45 | D | 44.8 | Very low | 43 | Very low | 133 Ų | 133 | 160.4 Ų | 160.4 | 71% | 0.711 | 82% | 0.823 | S | S | * | * | trans | -64.4 | 146.4 | 178 | 172.7 | 44.4 | 0 | 0 | 0 | 113 | ||||
| 46 | V | 49.2 | Very low | 42.9 | Very low | 132 Ų | 132 | 157.3 Ų | 157.3 | 80% | 0.8 | 82% | 0.817 | S | S | * | * | -175 | 108.3 | 119.2 | 168.6 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 47 | G | 39.7 | Very low | 42.9 | Very low | 64 Ų | 64 | 156.8 Ų | 156.8 | 66% | 0.66 | 81% | 0.814 | S | S | * | * | trans | -73 | 159.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 48 | N | 41.1 | Very low | 42.8 | Very low | 163 Ų | 163 | 154.7 Ų | 154.7 | 87% | 0.872 | 81% | 0.809 | S | S | * | * | trans | -140.8 | 137.1 | 150.1 | -167.8 | 23.6 | 0 | 0 | 0 | 111.3 | ||||
| 49 | Q | 39.7 | Very low | 42.8 | Very low | 167 Ų | 167 | 155.6 Ų | 155.6 | 78% | 0.78 | 81% | 0.806 | S | S | * | * | trans | -91.4 | 142.2 | -179.5 | -61.4 | 164.8 | 5.5 | 0 | 0 | 109.2 | ||||
| 50 | N | 40.5 | Very low | 42.8 | Very low | 168 Ų | 168 | 150.1 Ų | 150.1 | 90% | 0.898 | 80% | 0.797 | S | S | * | * | trans | -169.4 | 122.1 | 132.6 | -98 | -22.9 | 0 | 0 | 0 | 110.7 | ||||
| 51 | A | 36.2 | Very low | 42.3 | Very low | 94 Ų | 94 | 149.3 Ų | 149.3 | 78% | 0.777 | 79% | 0.792 | S | S | * | * | trans | -89.5 | 136.8 | 162.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 52 | E | 43.5 | Very low | 42.4 | Very low | 164 Ų | 164 | 148.4 Ų | 148.4 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | trans | -135.6 | 119.6 | 146 | -80.4 | -154 | -178.1 | 0 | 0 | 108.8 | R54 | E52-R54 IonicContact OE2-NH2 2.74Å; E52-R54 PolarHBondContact OE2-NH2 2.93Å; E52-R54 VanDerWaalsContact OE2-NH2 3.14Å | ||
| 53 | E | 40.3 | Very low | 42 | Very low | 183 Ų | 183 | 149 Ų | 149 | 86% | 0.855 | 79% | 0.787 | S | S | * | * | trans | -68.5 | 144.2 | 165.8 | -57.4 | 164.2 | 148.5 | 0 | 0 | 108.9 | ||||
| 54 | R | 42.9 | Very low | 41.6 | Very low | 217 Ų | 217 | 145.5 Ų | 145.5 | 82% | 0.819 | 79% | 0.789 | S | S | * | * | trans | -154.7 | 127.2 | 151 | -130.4 | 168.8 | -89.5 | -159.6 | 2.4 | 113.7 | E52 | E52-R54 IonicContact OE2-NH2 2.74Å; E52-R54 PolarHBondContact OE2-NH2 2.93Å; E52-R54 VanDerWaalsContact OE2-NH2 3.14Å | ||
| 55 | E | 40.1 | Very low | 41.1 | Very low | 178 Ų | 178 | 141.2 Ų | 141.2 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | trans | -78.6 | 153.1 | 179.7 | -66.4 | 179.7 | 134.8 | 0 | 0 | 112.4 | ||||
| 56 | V | 39.7 | Very low | 40.8 | Very low | 127 Ų | 127 | 142.7 Ų | 142.7 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | trans | 45.3 | 122.4 | 138.5 | -179.3 | 0 | 0 | 0 | 0 | 119 | ||||
| 57 | E | 42 | Very low | 40.7 | Very low | 163 Ų | 163 | 144.4 Ų | 144.4 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | -149.8 | 147.3 | 124.6 | -78.3 | -144.5 | 154.3 | 0 | 0 | 111.4 | Y59 | E57-Y59 HydrophobicContact CB-CE2 4.34Å; E57-Y59 WeakPolarHBondContact OE2-CE2 3.38Å | |||
| 58 | D | 40.3 | Very low | 41 | Very low | 145 Ų | 145 | 149.3 Ų | 149.3 | 78% | 0.775 | 80% | 0.799 | S | S | * | * | trans | -109.2 | 125.7 | -176.7 | 161.2 | 42.2 | 0 | 0 | 0 | 110.4 | ||||
| 59 | Y | 45.1 | Very low | 40.9 | Very low | 199 Ų | 199 | 149 Ų | 149 | 78% | 0.78 | 80% | 0.797 | S | S | * | * | trans | -154.1 | 142.9 | 168 | -69.7 | -90.1 | 0 | 0 | 0 | 108.5 | E57 | E57-Y59 HydrophobicContact CB-CE2 4.34Å; E57-Y59 WeakPolarHBondContact OE2-CE2 3.38Å | ||
| 60 | G | 40.8 | Very low | 41.1 | Very low | 60 Ų | 60 | 147.4 Ų | 147.4 | 62% | 0.619 | 80% | 0.799 | S | S | * | * | cis | 178 | 140.4 | -5.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 61 | D | 37.2 | Very low | 41 | Very low | 137 Ų | 137 | 147.8 Ų | 147.8 | 73% | 0.733 | 80% | 0.795 | S | S | * | * | trans | -54.3 | 134.5 | 177.1 | 176.6 | 29.6 | 0 | 0 | 0 | 112.1 | ||||
| 62 | T | 43.5 | Very low | 41.4 | Very low | 134 Ų | 134 | 152.4 Ų | 152.4 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | trans | -135 | 105 | 169.3 | -48 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 63 | K | 43.4 | Very low | 41.1 | Very low | 175 Ų | 175 | 152.3 Ų | 152.3 | 76% | 0.761 | 80% | 0.8 | S | S | * | * | trans | -81 | 148 | 176.8 | -66.2 | 179.4 | 178.9 | 177.1 | 0 | 113.1 | ||||
| 64 | G | 35.5 | Very low | 41.2 | Very low | 85 Ų | 85 | 151.3 Ų | 151.3 | 88% | 0.876 | 80% | 0.799 | S | S | * | * | trans | 84.8 | 122 | 130.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 65 | G | 37.4 | Very low | 41.2 | Very low | 77 Ų | 77 | 145.7 Ų | 145.7 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | trans | -171.8 | 88.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 66 | D | 38.5 | Very low | 41.2 | Very low | 165 Ų | 165 | 145.8 Ų | 145.8 | 88% | 0.882 | 80% | 0.799 | S | S | * | * | trans | -72.1 | 137.2 | 169.3 | -64.1 | -70.2 | 0 | 0 | 0 | 110.8 | ||||
| 67 | M | 47.4 | Very low | 41.6 | Very low | 167 Ų | 167 | 147.4 Ų | 147.4 | 82% | 0.823 | 80% | 0.804 | S | S | * | * | trans | -179.6 | 143.3 | 162.5 | -103.7 | 169.4 | -175.2 | 0 | 0 | 108.2 | ||||
| 68 | E | 45.2 | Very low | 41.8 | Very low | 168 Ų | 168 | 147 Ų | 147 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | cis | -163.2 | 156.5 | -23.1 | -128.5 | 170.5 | -162.8 | 0 | 0 | 106.4 | ||||
| 69 | D | 39.8 | Very low | 42.1 | Very low | 156 Ų | 156 | 147.1 Ų | 147.1 | 83% | 0.834 | 81% | 0.808 | S | S | * | * | trans | -64.2 | 137.7 | -176 | -68.4 | -69.5 | 0 | 0 | 0 | 113.9 | ||||
| 70 | V | 44.7 | Very low | 42.3 | Very low | 134 Ų | 134 | 145.3 Ų | 145.3 | 81% | 0.812 | 81% | 0.811 | S | S | * | * | trans | -137.1 | 104.2 | 154.7 | -175.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 71 | Q | 37.1 | Very low | 42.4 | Very low | 175 Ų | 175 | 149.9 Ų | 149.9 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | -93.5 | 132.3 | 159.8 | -71.4 | 173.9 | -31.6 | 0 | 0 | 108.6 | ||||
| 72 | E | 44.2 | Very low | 43 | Very low | 191 Ų | 191 | 150.2 Ų | 150.2 | 89% | 0.893 | 82% | 0.816 | S | S | * | * | trans | -128.2 | 132.2 | 154.5 | -78.6 | -166.1 | 144.9 | 0 | 0 | 108.9 | ||||
| 73 | E | 39.2 | Very low | 42.9 | Very low | 163 Ų | 163 | 149.9 Ų | 149.9 | 76% | 0.762 | 81% | 0.81 | S | S | * | * | trans | -104 | 178.7 | -177.4 | -65.8 | -172.2 | 159.5 | 0 | 0 | 111.7 | ||||
| 74 | I | 41.1 | Very low | 43.3 | Very low | 162 Ų | 162 | 148.9 Ų | 148.9 | 83% | 0.831 | 81% | 0.811 | S | S | * | * | trans | 84.1 | 101.3 | 159.8 | -48.1 | 167.9 | 0 | 0 | 0 | 116.4 | ||||
| 75 | A | 42.5 | Very low | 43.8 | Very low | 99 Ų | 99 | 153 Ų | 153 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | -159.3 | 116.7 | 109.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 76 | E | 41.1 | Very low | 43.9 | Very low | 179 Ų | 179 | 156.6 Ų | 156.6 | 84% | 0.836 | 81% | 0.814 | S | S | * | * | trans | -81.2 | 138.5 | 165.9 | -59.8 | 174 | 153.4 | 0 | 0 | 108.6 | ||||
| 77 | D | 46.9 | Very low | 44.3 | Very low | 162 Ų | 162 | 152.8 Ų | 152.8 | 87% | 0.866 | 81% | 0.806 | S | S | * | * | 165.7 | 144.9 | 127 | -88.9 | -24.4 | 0 | 0 | 0 | 114.1 | |||||
| 78 | D | 47.8 | Very low | 44.3 | Very low | 155 Ų | 155 | 151.6 Ų | 151.6 | 83% | 0.829 | 80% | 0.803 | S | S | * | * | trans | 100.2 | 123.1 | 155.4 | -143 | 11.6 | 0 | 0 | 0 | 119.6 | ||||
| 79 | D | 46.8 | Very low | 44.3 | Very low | 147 Ų | 147 | 151 Ų | 151 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | trans | -86 | 136 | -166.9 | -70.6 | -62.5 | 0 | 0 | 0 | 112.1 | ||||
| 80 | N | 47.4 | Very low | 44.7 | Very low | 161 Ų | 161 | 150.6 Ų | 150.6 | 86% | 0.861 | 80% | 0.803 | S | S | * | * | trans | -148.3 | 102.4 | 150.1 | -95.9 | -64.6 | 0 | 0 | 0 | 112.2 | I82 | N80-I82 PolarHBondContact O-N 3.26Š| ||
| 81 | H | 44.6 | Very low | 44.8 | Very low | 155 Ų | 155 | 152.4 Ų | 152.4 | 72% | 0.718 | 80% | 0.802 | S | S | * | * | trans | -67.5 | 115.2 | 177.6 | -168.3 | -52.7 | 0 | 0 | 0 | 111.2 | D83 | H81-D83 IonicContact CE1-OD1 3.82Å; H81-D83 PolarHBondContact CE1-OD1 3.33Å; H81-D83 VanDerWaalsContact CE1-OD1 3.27Å; H81-D83 IonicContact CE1-OD2 3Å; H81-D83 PolarHBondContact CE1-OD2 2.83Å; H81-D83 IonicContact ND1-OD1 2.65Å; H81-D83 IonicContact ND1-OD2 3.97Å; H81-D83 PolarHBondContact ND1-OD2 3.31Å | ||
| 82 | I | 49.5 | Very low | 45.1 | Very low | 144 Ų | 144 | 153.3 Ų | 153.3 | 74% | 0.738 | 80% | 0.804 | S | S | * | * | trans | -130.9 | 113.5 | 161.8 | -60.3 | -177.7 | 0 | 0 | 0 | 107.6 | N80 I84 | N80-I82 PolarHBondContact O-N 3.26Å; I82-I84 PolarHBondContact O-N 3.16Å | ||
| 83 | D | 41.2 | Very low | 45.1 | Very low | 128 Ų | 128 | 149.2 Ų | 149.2 | 68% | 0.684 | 79% | 0.793 | S | S | * | * | trans | -64.2 | 122.4 | 171.5 | -59.1 | -77.7 | 0 | 0 | 0 | 109.8 | H81 | H81-D83 IonicContact CE1-OD1 3.82Å; H81-D83 PolarHBondContact CE1-OD1 3.33Å; H81-D83 VanDerWaalsContact CE1-OD1 3.27Å; H81-D83 IonicContact CE1-OD2 3Å; H81-D83 PolarHBondContact CE1-OD2 2.83Å; H81-D83 IonicContact ND1-OD1 2.65Å; H81-D83 IonicContact ND1-OD2 3.97Å; H81-D83 PolarHBondContact ND1-OD2 3.31Å | ||
| 84 | I | 50.7 | Low | 45.5 | Very low | 153 Ų | 153 | 147 Ų | 147 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | -116.6 | 108.5 | 160.5 | -66.2 | -177.5 | 0 | 0 | 0 | 106.4 | I82 | I82-I84 PolarHBondContact O-N 3.16Š| ||
| 85 | E | 46.1 | Very low | 45.9 | Very low | 173 Ų | 173 | 142.6 Ų | 142.6 | 81% | 0.808 | 78% | 0.777 | S | S | * | * | trans | -59.8 | 137.2 | -178.6 | -62.9 | -179.2 | 141.8 | 0 | 0 | 110.6 | A87 | E85-A87 VanDerWaalsContact C-N 3.31Å; E85-A87 PolarHBondContact O-N 3.49Å | ||
| 86 | T | 39.6 | Very low | 46.3 | Very low | 151 Ų | 151 | 144.2 Ų | 144.2 | 93% | 0.926 | 78% | 0.779 | S | S | * | * | trans | -74.1 | 87.8 | 171.6 | -19.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 87 | A | 47.7 | Very low | 47.2 | Very low | 85 Ų | 85 | 139 Ų | 139 | 70% | 0.702 | 76% | 0.756 | S | S | * | * | trans | -94.2 | 101.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | E85 | E85-A87 VanDerWaalsContact C-N 3.31Å; E85-A87 PolarHBondContact O-N 3.49Å | ||
| 88 | D | 47.4 | Very low | 48.1 | Very low | 142 Ų | 142 | 136.1 Ų | 136.1 | 76% | 0.759 | 74% | 0.741 | S | S | * | * | trans | 31.3 | 101.7 | 151.2 | -58 | -47.5 | 0 | 0 | 0 | 118.5 | D90 | D88-D90 PolarHBondContact O-N 3.25Š| ||
| 89 | D | 45.7 | Very low | 49 | Very low | 156 Ų | 156 | 133.5 Ų | 133.5 | 83% | 0.834 | 73% | 0.727 | S | S | * | * | trans | -71.3 | 77.9 | 161.1 | -168.8 | 19.9 | 0 | 0 | 0 | 109.5 | E91 | D89-E91 VanDerWaalsContact C-N 3.32Å; D89-E91 PolarHBondContact O-N 2.61Å | ||
| 90 | D | 48.2 | Very low | 50.1 | Low | 148 Ų | 148 | 132.1 Ų | 132.1 | 79% | 0.791 | 72% | 0.716 | S | S | * | * | trans | -71.2 | 84.5 | 178.8 | -106 | -29.2 | 0 | 0 | 0 | 110.6 | D88 K92 | D88-D90 PolarHBondContact O-N 3.25Å; D90-K92 PolarHBondContact O-N 3.43Å | ||
| 91 | E | 46.1 | Very low | 51.5 | Low | 171 Ų | 171 | 126 Ų | 126 | 80% | 0.799 | 68% | 0.683 | S | S | * | * | trans | -51.5 | 100.8 | 169.1 | -71.4 | -171.5 | 133.8 | 0 | 0 | 110.8 | D89 P93 | D89-E91 VanDerWaalsContact C-N 3.32Å; D89-E91 PolarHBondContact O-N 2.61Å; E91-P93 WeakPolarHBondContact O-CD 3.39Å | ||
| 92 | K | 43.8 | Very low | 53.2 | Low | 195 Ų | 195 | 125.2 Ų | 125.2 | 85% | 0.848 | 67% | 0.673 | S | S | * | * | trans | -85.6 | 106.8 | 165.9 | -168.6 | 173 | -174.3 | 177 | 0 | 108.8 | D90 | D90-K92 PolarHBondContact O-N 3.43Š| ||
| 93 | P | 44.4 | Very low | 54.7 | Low | 104 Ų | 104 | 125.3 Ų | 125.3 | 68% | 0.675 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 137.1 | -179.5 | 25.9 | -34.4 | 0 | 0 | 0 | 109.8 | E91 | E91-P93 WeakPolarHBondContact O-CD 3.39Š|
| 94 | P | 47.5 | Very low | 56.7 | Low | 118 Ų | 118 | 123.1 Ų | 123.1 | 77% | 0.766 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 144.4 | 168 | 26.5 | -32.9 | 0 | 0 | 0 | 108.9 | ||
| 95 | S | 48 | Very low | 58.3 | Low | 69 Ų | 69 | 117.1 Ų | 117.1 | 48% | 0.483 | 62% | 0.623 | S | S | . | * | P | Polyproline II helix | trans | -52.2 | 143.1 | 174.5 | 27.9 | 0 | 0 | 0 | 0 | 110.1 | I97 | S95-I97 PolarHBondContact O-N 3.34Š|
| 96 | P | 52.1 | Low | 60.2 | Low | 133 Ų | 133 | 112.6 Ų | 112.6 | 86% | 0.864 | 61% | 0.61 | S | S | * | * | trans | -71.3 | 82.1 | -179.5 | 30 | -34.8 | 0 | 0 | 0 | 110 | D98 | P96-D98 PolarHBondContact O-N 3.46Š| ||
| 97 | I | 59.7 | Low | 62.4 | Low | 68 Ų | 68 | 111 Ų | 111 | 35% | 0.349 | 59% | 0.592 | S | S | . | * | trans | -62.8 | 115.7 | 158.7 | -61 | 170.5 | 0 | 0 | 0 | 105.3 | S95 D101 R102 Y105 | S95-I97 PolarHBondContact O-N 3.34Å; I97-D101 HydrophobicContact CG2-CB 3.73Å; I97-R102 PolarHBondContact O-NH2 2.86Å; I97-Y105 HydrophobicContact CD1-CE2 4.26Å; I97-Y105 HydrophobicContact CG2-CE2 4.09Å | ||
| 98 | D | 65.8 | Low | 64.1 | Low | 102 Ų | 102 | 107.9 Ų | 107.9 | 55% | 0.545 | 56% | 0.563 | S | S | . | * | trans | -49.6 | 141.6 | 177.1 | -160.8 | -15.2 | 0 | 0 | 0 | 109.7 | P96 E100 D101 R102 | P96-D98 PolarHBondContact O-N 3.46Å; D98-E100 PolarHBondContact O-N 2.79Å; D98-E100 VanDerWaalsContact O-N 3.15Å; D98-D101 WeakPolarHBondContact O-CA 3.48Å; D98-D101 PolarHBondContact O-N 3.49Å; D98-R102 PolarHBondContact O-N 3.33Å | ||
| 99 | D | 67 | Low | 65.9 | Low | 101 Ų | 101 | 104.8 Ų | 104.8 | 54% | 0.54 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -60.3 | -31.3 | -175.6 | -70.4 | -40.4 | 0 | 0 | 0 | 110.6 | D101 R102 E103 | D99-D101 PolarHBondContact O-N 3.02Å; D99-R102 PolarHBondContact O-N 3.29Å; D99-R102 IonicContact OD1-CZ 2.66Å; D99-R102 IonicContact OD1-NH1 3.09Å; D99-R102 PolarHBondContact OD1-NH1 2.87Å; D99-R102 IonicContact OD1-NH2 3.88Å; D99-R102 PolarHBondContact OD1-NH2 3.43Å; D99-E103 PolarHBondContact O-N 3.06Å |
| 100 | E | 70.2 | Confident | 67.7 | Low | 118 Ų | 118 | 101.1 Ų | 101.1 | 55% | 0.551 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -60 | -40.8 | 170.5 | -65.2 | -164.1 | -175.3 | 0 | 0 | 113.7 | D98 R102 K104 | D98-E100 PolarHBondContact O-N 2.79Å; D98-E100 VanDerWaalsContact O-N 3.15Å; E100-R102 VanDerWaalsContact C-N 3.34Å; E100-K104 VanDerWaalsContact O-CD 3.28Å; E100-K104 WeakPolarHBondContact O-CD 3.3Å; E100-K104 WeakPolarHBondContact O-CE 3.43Å; E100-K104 WeakPolarHBondContact O-CG 3.31Å; E100-K104 PolarHBondContact O-N 2.78Å; E100-K104 IonicContact OE2-NZ 3.43Å; E100-K104 PolarHBondContact OE2-NZ 3.15Å |
| 101 | D | 76.9 | Confident | 69.3 | Low | 32 Ų | 32 | 94.9 Ų | 94.9 | 17% | 0.171 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -72.7 | -32.2 | 178.4 | -93 | -1.3 | 0 | 0 | 0 | 110.2 | I97 D98 D99 K104 Y105 Y254 K258 | I97-D101 HydrophobicContact CG2-CB 3.73Å; D98-D101 WeakPolarHBondContact O-CA 3.48Å; D98-D101 PolarHBondContact O-N 3.49Å; D99-D101 PolarHBondContact O-N 3.02Å; D101-K104 PolarHBondContact O-N 3.02Å; D101-K104 IonicContact OD1-NZ 2.79Å; D101-Y105 HydrophobicContact CB-CE1 4.11Å; D101-Y105 WeakPolarHBondContact O-CB 3.19Å; D101-Y105 WeakPolarHBondContact O-CD1 3.25Å; D101-Y105 PolarHBondContact O-N 2.8Å; D101-Y254 VanDerWaalsContact CG-OH 3.26Å; D101-Y254 PolarHBondContact OD1-OH 2.67Å; D101-Y254 PolarHBondContact OD2-OH 3.07Å; D101-K258 IonicContact OD2-NZ 3.27Å; D101-K258 PolarHBondContact OD2-NZ 3.47Å |
| 102 | R | 78.7 | Confident | 71 | Confident | 138 Ų | 138 | 87.8 Ų | 87.8 | 52% | 0.521 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.7 | -42.9 | 173.3 | -163.6 | -177.2 | -52.8 | 118.8 | 21.5 | 112.5 | I97 D98 D99 E100 Y105 S106 | I97-R102 PolarHBondContact O-NH2 2.86Å; D98-R102 PolarHBondContact O-N 3.33Å; D99-R102 PolarHBondContact O-N 3.29Å; D99-R102 IonicContact OD1-CZ 2.66Å; D99-R102 IonicContact OD1-NH1 3.09Å; D99-R102 PolarHBondContact OD1-NH1 2.87Å; D99-R102 IonicContact OD1-NH2 3.88Å; D99-R102 PolarHBondContact OD1-NH2 3.43Å; E100-R102 VanDerWaalsContact C-N 3.34Å; R102-Y105 PolarHBondContact O-N 2.73Å; R102-S106 PolarHBondContact O-N 2.87Å |
| 103 | E | 81.5 | Confident | 72.7 | Confident | 146 Ų | 146 | 80.1 Ų | 80.1 | 68% | 0.682 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -65.2 | -43.3 | 174.5 | -71.5 | -175 | 177.5 | 0 | 0 | 112 | D99 Y105 S106 H107 | D99-E103 PolarHBondContact O-N 3.06Å; E103-Y105 VanDerWaalsContact C-N 3.29Å; E103-Y105 PolarHBondContact O-N 3.15Å; E103-S106 PolarHBondContact O-N 3.24Å; E103-S106 PolarHBondContact O-OG 3.37Å; E103-H107 PolarHBondContact O-N 3.4Å |
| 104 | K | 83.1 | Confident | 74.3 | Confident | 82 Ų | 82 | 77.4 Ų | 77.4 | 36% | 0.357 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -60.4 | -40.8 | 173.7 | -68.4 | 160.2 | -156.8 | 158.6 | 0 | 110.7 | E100 D101 H107 L108 | E100-K104 VanDerWaalsContact O-CD 3.28Å; E100-K104 WeakPolarHBondContact O-CD 3.3Å; E100-K104 WeakPolarHBondContact O-CE 3.43Å; E100-K104 WeakPolarHBondContact O-CG 3.31Å; E100-K104 PolarHBondContact O-N 2.78Å; E100-K104 IonicContact OE2-NZ 3.43Å; E100-K104 PolarHBondContact OE2-NZ 3.15Å; D101-K104 PolarHBondContact O-N 3.02Å; D101-K104 IonicContact OD1-NZ 2.79Å; K104-H107 PolarHBondContact O-N 2.96Å; K104-L108 WeakPolarHBondContact O-CB 3.4Å; K104-L108 WeakPolarHBondContact O-CG 3.08Å; K104-L108 PolarHBondContact O-N 3.37Å |
| 105 | Y | 85.2 | Confident | 75.8 | Confident | 28 Ų | 28 | 72.6 Ų | 72.6 | 11% | 0.11 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -67.1 | -41.9 | -179.7 | -69.4 | 7.1 | 0 | 0 | 0 | 111.7 | I97 D101 R102 E103 L108 L109 V219 P221 Y254 K258 | I97-Y105 HydrophobicContact CD1-CE2 4.26Å; I97-Y105 HydrophobicContact CG2-CE2 4.09Å; D101-Y105 HydrophobicContact CB-CE1 4.11Å; D101-Y105 WeakPolarHBondContact O-CB 3.19Å; D101-Y105 WeakPolarHBondContact O-CD1 3.25Å; D101-Y105 PolarHBondContact O-N 2.8Å; R102-Y105 PolarHBondContact O-N 2.73Å; E103-Y105 VanDerWaalsContact C-N 3.29Å; E103-Y105 PolarHBondContact O-N 3.15Å; Y105-L108 PolarHBondContact O-N 3.3Å; Y105-L109 WeakPolarHBondContact O-CB 3.35Å; Y105-L109 VanDerWaalsContact O-CG 3.31Å; Y105-L109 WeakPolarHBondContact O-CG 3.22Å; Y105-L109 PolarHBondContact O-N 2.81Å; Y105-V219 PolarHBondContact OH-O 3.49Å; Y105-P221 HydrophobicContact CD1-CG 3.82Å; Y105-P221 HydrophobicContact CD2-CB 4.27Å; Y105-P221 HydrophobicContact CD2-CG 4.3Å; Y105-P221 HydrophobicContact CE1-CG 4.47Å; Y105-P221 HydrophobicContact CG-CB 4.12Å; Y105-P221 HydrophobicContact CG-CG 3.74Å; Y105-Y254 HydrophobicContact CD1-CE1 4.31Å; Y105-Y254 HydrophobicContact CE1-CD1 4.48Å; Y105-Y254 AromaticContact CE1-CE1 3.53Å; Y105-Y254 HydrophobicContact CE1-CE1 3.53Å; Y105-Y254 AromaticContact CE1-CZ 3.69Å; Y105-Y254 WeakPolarHBondContact CE1-OH 3.37Å; Y105-K258 PolarHBondContact OH-NZ 3.18Å; Y105-K258 VanDerWaalsContact OH-NZ 3.14Å |
| 106 | S | 85.1 | Confident | 77.5 | Confident | 77 Ų | 77 | 69.3 Ų | 69.3 | 54% | 0.538 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65 | -41.1 | 176.4 | 70.3 | 0 | 0 | 0 | 0 | 111.6 | R102 E103 L109 S110 | R102-S106 PolarHBondContact O-N 2.87Å; E103-S106 PolarHBondContact O-N 3.24Å; E103-S106 PolarHBondContact O-OG 3.37Å; S106-L109 PolarHBondContact O-N 3.17Å; S106-S110 WeakPolarHBondContact O-CB 3.38Å; S106-S110 PolarHBondContact O-N 3.06Å |
| 107 | H | 86.2 | Confident | 79.1 | Confident | 117 Ų | 117 | 64.1 Ų | 64.1 | 54% | 0.542 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.3 | -50.3 | 173.3 | -177.6 | -92.5 | 0 | 0 | 0 | 111.7 | E103 K104 L109 S110 L111 | E103-H107 PolarHBondContact O-N 3.4Å; K104-H107 PolarHBondContact O-N 2.96Å; H107-L109 VanDerWaalsContact C-N 3.28Å; H107-L109 PolarHBondContact O-N 2.98Å; H107-S110 WeakPolarHBondContact O-CB 3.28Å; H107-S110 PolarHBondContact O-N 2.68Å; H107-S110 PolarHBondContact O-OG 3Å; H107-L111 PolarHBondContact O-N 3.02Å |
| 108 | L | 84.4 | Confident | 80.4 | Confident | 20 Ų | 20 | 60.9 Ų | 60.9 | 11% | 0.105 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.1 | -35.8 | 179.8 | -69.5 | 168.4 | 0 | 0 | 0 | 112.8 | K104 Y105 L111 P221 N248 A250 Y254 | K104-L108 WeakPolarHBondContact O-CB 3.4Å; K104-L108 WeakPolarHBondContact O-CG 3.08Å; K104-L108 PolarHBondContact O-N 3.37Å; Y105-L108 PolarHBondContact O-N 3.3Å; L108-L111 HydrophobicContact CD2-CD1 4.37Å; L108-P221 HydrophobicContact CB-CG 4.49Å; L108-P221 HydrophobicContact CD1-CG 4.37Å; L108-N248 PolarHBondContact O-ND2 3.45Å; L108-A250 HydrophobicContact CD2-CB 3.61Å; L108-Y254 HydrophobicContact CD1-CD1 4.08Å; L108-Y254 HydrophobicContact CD1-CD2 3.73Å; L108-Y254 HydrophobicContact CD1-CE2 4.36Å; L108-Y254 HydrophobicContact CD1-CG 3.57Å |
| 109 | L | 83.6 | Confident | 81.4 | Confident | 78 Ų | 78 | 58.9 Ų | 58.9 | 41% | 0.408 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -78.5 | -18.2 | 175.7 | -69.4 | 173.2 | 0 | 0 | 0 | 113.8 | Y105 S106 H107 L111 P221 Y247 | Y105-L109 WeakPolarHBondContact O-CB 3.35Å; Y105-L109 VanDerWaalsContact O-CG 3.31Å; Y105-L109 WeakPolarHBondContact O-CG 3.22Å; Y105-L109 PolarHBondContact O-N 2.81Å; S106-L109 PolarHBondContact O-N 3.17Å; H107-L109 VanDerWaalsContact C-N 3.28Å; H107-L109 PolarHBondContact O-N 2.98Å; L109-L111 VanDerWaalsContact C-N 3.33Å; L109-P221 HydrophobicContact CD1-CB 3.98Å; L109-P221 HydrophobicContact CD2-CB 4.19Å; L109-P221 HydrophobicContact CG-CB 4.04Å; L109-P221 HydrophobicContact CG-CG 4.46Å; L109-Y247 HydrophobicContact CD2-CD1 4.43Å |
| 110 | S | 83.5 | Confident | 82.4 | Confident | 79 Ų | 79 | 54.1 Ų | 54.1 | 55% | 0.552 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -78.5 | -15.8 | 174.6 | 76.1 | 0 | 0 | 0 | 0 | 113.9 | S106 H107 | S106-S110 WeakPolarHBondContact O-CB 3.38Å; S106-S110 PolarHBondContact O-N 3.06Å; H107-S110 WeakPolarHBondContact O-CB 3.28Å; H107-S110 PolarHBondContact O-N 2.68Å; H107-S110 PolarHBondContact O-OG 3Å |
| 111 | L | 83.4 | Confident | 83.1 | Confident | 17 Ų | 17 | 48.7 Ų | 48.7 | 9% | 0.089 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -72.5 | 147.4 | 177.6 | -57.7 | 170.9 | 0 | 0 | 0 | 110.9 | H107 L108 L109 F143 N248 A250 | H107-L111 PolarHBondContact O-N 3.02Å; L108-L111 HydrophobicContact CD2-CD1 4.37Å; L109-L111 VanDerWaalsContact C-N 3.33Å; L111-F143 HydrophobicContact CD2-CD1 4.31Å; L111-F143 HydrophobicContact CD2-CE1 3.27Å; L111-F143 HydrophobicContact CD2-CZ 3.57Å; L111-N248 PolarHBondContact O-ND2 3.26Å; L111-A250 HydrophobicContact CD1-CB 3.28Å |
| 112 | P | 79.9 | Confident | 83.3 | Confident | 21 Ų | 21 | 48.9 Ų | 48.9 | 14% | 0.136 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -51.2 | 147.3 | -176.2 | -28.6 | 34.8 | 0 | 0 | 0 | 114.5 | F143 F164 N248 | P112-F143 HydrophobicContact CG-CB 3.95Å; P112-F143 HydrophobicContact CG-CD1 4.27Å; P112-F143 HydrophobicContact CG-CD2 3.73Å; P112-F143 HydrophobicContact CG-CE2 4.36Å; P112-F143 HydrophobicContact CG-CG 3.69Å; P112-F164 WeakPolarHBondContact CB-O 3.26Å; P112-F164 WeakPolarHBondContact CG-O 3.49Å; P112-N248 VanDerWaalsContact O-CB 3.23Å; P112-N248 WeakPolarHBondContact O-CB 3.18Å |
| 113 | P | 79.8 | Confident | 83.6 | Confident | 34 Ų | 34 | 42.7 Ų | 42.7 | 22% | 0.221 | 24% | 0.237 | C | C | . | . | P | Polyproline II helix | trans | -64.9 | 158.8 | 178.5 | 27.6 | -35.7 | 0 | 0 | 0 | 112.3 | S116 K167 Y247 | P113-S116 VanDerWaalsContact O-CB 3.27Å; P113-S116 WeakPolarHBondContact O-CB 3.38Å; P113-S116 PolarHBondContact O-N 3.44Å; P113-S116 VanDerWaalsContact O-N 3.12Å; P113-S116 PolarHBondContact O-OG 2.68Å; P113-K167 HydrophobicContact CG-CG 4.46Å; P113-Y247 CarbonylContact C-O 3.56Å; P113-Y247 HydrophobicContact CB-CD2 4.46Å; P113-Y247 HydrophobicContact CB-CE1 4.38Å; P113-Y247 HydrophobicContact CB-CE2 3.76Å |
| 114 | H | 78.4 | Confident | 83.6 | Confident | 48 Ų | 48 | 37.1 Ų | 37.1 | 22% | 0.222 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.6 | 145.8 | 177.5 | 65.9 | -100 | 0 | 0 | 0 | 112.3 | S116 K167 N196 E224 Y247 | H114-S116 PolarHBondContact O-N 3.08Å; H114-K167 PolarHBondContact CD2-NZ 3.35Å; H114-K167 PolarHBondContact NE2-NZ 3.24Å; H114-K167 WeakPolarHBondContact O-CD 3.41Å; H114-K167 WeakPolarHBondContact O-CE 3.41Å; H114-K167 PolarHBondContact O-NZ 3.13Å; H114-N196 HydrophobicContact CB-CB 3.92Å; H114-N196 WeakPolarHBondContact CB-ND2 3.3Å; H114-E224 IonicContact CE1-OE1 3.91Å; H114-E224 PolarHBondContact CE1-OE1 2.83Å; H114-E224 IonicContact CE1-OE2 3.27Å; H114-E224 PolarHBondContact CE1-OE2 3.31Å; H114-E224 IonicContact ND1-OE1 2.68Å; H114-E224 PolarHBondContact ND1-OE1 2.64Å; H114-E224 IonicContact ND1-OE2 3.39Å; H114-E224 PolarHBondContact ND1-OE2 2.87Å; H114-E224 VanDerWaalsContact ND1-OE2 3.09Å; H114-Y247 VanDerWaalsContact CB-O 3.32Å; H114-Y247 WeakPolarHBondContact CB-O 3.41Å; H114-Y247 PolarHBondContact N-O 3.09Å; H114-Y247 PolarHBondContact ND1-O 3.2Å |
| 115 | G | 78.4 | Confident | 83.5 | Confident | 16 Ų | 16 | 41.8 Ų | 41.8 | 17% | 0.165 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.4 | -4.8 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | E117 A170 L192 | G115-E117 VanDerWaalsContact C-N 3.34Å; G115-A170 WeakPolarHBondContact O-CB 3.48Å; G115-L192 WeakPolarHBondContact O-CD2 3.42Å |
| 116 | S | 84.5 | Confident | 83.4 | Confident | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.007 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -83.7 | -9.1 | 164.4 | -38.9 | 0 | 0 | 0 | 0 | 112.8 | P113 H114 F164 K167 A170 | P113-S116 VanDerWaalsContact O-CB 3.27Å; P113-S116 WeakPolarHBondContact O-CB 3.38Å; P113-S116 PolarHBondContact O-N 3.44Å; P113-S116 VanDerWaalsContact O-N 3.12Å; P113-S116 PolarHBondContact O-OG 2.68Å; H114-S116 PolarHBondContact O-N 3.08Å; S116-F164 VanDerWaalsContact CB-O 3.3Å; S116-F164 WeakPolarHBondContact CB-O 3.24Å; S116-F164 PolarHBondContact O-N 2.74Å; S116-K167 WeakPolarHBondContact OG-CG 3.47Å; S116-A170 WeakPolarHBondContact O-CB 3.18Å |
| 117 | E | 86.2 | Confident | 83.3 | Confident | 23 Ų | 23 | 42 Ų | 42 | 11% | 0.107 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 122.7 | 178.8 | 177.7 | -170.9 | -163.6 | 0 | 0 | 110.9 | G115 R146 F161 V162 A163 S193 S195 N249 | G115-E117 VanDerWaalsContact C-N 3.34Å; E117-R146 IonicContact OE1-CZ 3.12Å; E117-R146 IonicContact OE1-NE 2.8Å; E117-R146 IonicContact OE1-NH2 2.67Å; E117-R146 PolarHBondContact OE1-NH2 2.99Å; E117-R146 IonicContact OE2-NH2 3.94Å; E117-F161 HydrophobicContact CG-CB 3.97Å; E117-F161 HydrophobicContact CG-CD1 4.21Å; E117-F161 WeakPolarHBondContact OE1-CB 3.41Å; E117-F161 WeakPolarHBondContact OE1-CD1 3.39Å; E117-F161 VanDerWaalsContact OE1-CG 3.24Å; E117-F161 WeakPolarHBondContact OE1-CG 3.31Å; E117-V162 CarbonylContact C-O 3.53Å; E117-V162 WeakPolarHBondContact CA-O 3.5Å; E117-A163 HydrophobicContact CB-CB 4.35Å; E117-S193 WeakPolarHBondContact CB-OG 3.49Å; E117-S193 VanDerWaalsContact CG-OG 3.27Å; E117-S193 WeakPolarHBondContact CG-OG 3.46Å; E117-S193 VanDerWaalsContact O-CB 3.23Å; E117-S193 WeakPolarHBondContact O-CB 3.42Å; E117-S193 PolarHBondContact O-N 2.76Å; E117-S193 PolarHBondContact O-OG 3.32Å; E117-S193 PolarHBondContact OE2-OG 2.87Å; E117-S195 PolarHBondContact OE2-OG 3.31Å; E117-N249 WeakPolarHBondContact OE2-CB 3.19Å |
| 118 | V | 87.1 | Confident | 83.3 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 128.7 | 177.8 | 179.6 | 0 | 0 | 0 | 0 | 109.7 | I120 F161 V162 F164 A170 A173 I174 C190 | V118-I120 HydrophobicContact CG1-CG1 4.05Å; V118-F161 CarbonylContact O-C 3.59Å; V118-F161 VanDerWaalsContact O-CA 3.25Å; V118-F161 WeakPolarHBondContact O-CA 3.4Å; V118-V162 PolarHBondContact N-O 3.11Å; V118-V162 PolarHBondContact O-N 3.38Å; V118-F164 HydrophobicContact CB-CE2 4.25Å; V118-F164 HydrophobicContact CG2-CD2 3.93Å; V118-F164 HydrophobicContact CG2-CE2 3.69Å; V118-A170 HydrophobicContact CG2-CB 3.75Å; V118-A170 VanDerWaalsContact CG2-O 3.25Å; V118-A170 WeakPolarHBondContact CG2-O 3.46Å; V118-A173 HydrophobicContact CG2-CB 4.46Å; V118-I174 HydrophobicContact CB-CG1 4.39Å; V118-I174 HydrophobicContact CG1-CD1 4.27Å; V118-I174 HydrophobicContact CG1-CG1 3.62Å; V118-I174 HydrophobicContact CG2-CD1 4.04Å; V118-I174 HydrophobicContact CG2-CG1 3.92Å; V118-C190 HydrophobicContact CG1-CB 4.24Å |
| 119 | F | 87.1 | Confident | 83.5 | Confident | 60 Ų | 60 | 40.4 Ų | 40.4 | 26% | 0.263 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 127.1 | 164.9 | 169.8 | -89.4 | 0 | 0 | 0 | 109.3 | Y159 F161 C190 S191 | F119-Y159 HydrophobicContact CD2-CD2 4.08Å; F119-Y159 AromaticContact CE2-CD2 3.44Å; F119-Y159 HydrophobicContact CE2-CD2 3.44Å; F119-Y159 VanDerWaalsContact CE2-CD2 3.44Å; F119-Y159 HydrophobicContact CE2-CE2 4.23Å; F119-Y159 AromaticContact CE2-CG 3.69Å; F119-Y159 HydrophobicContact CE2-CG 3.69Å; F119-Y159 HydrophobicContact CZ-CD2 4.35Å; F119-Y159 HydrophobicContact CZ-CG 4.16Å; F119-F161 HydrophobicContact CB-CD1 4.04Å; F119-F161 HydrophobicContact CB-CE1 3.97Å; F119-F161 HydrophobicContact CD2-CD1 4.23Å; F119-F161 AromaticContact CD2-CE1 3.66Å; F119-F161 HydrophobicContact CD2-CE1 3.66Å; F119-F161 AromaticContact CD2-CZ 3.86Å; F119-F161 HydrophobicContact CD2-CZ 3.86Å; F119-F161 HydrophobicContact CG-CE1 4.31Å; F119-C190 CarbonylContact O-C 3.51Å; F119-C190 VanDerWaalsContact O-CA 3.3Å; F119-C190 WeakPolarHBondContact O-CA 3.33Å; F119-S191 WeakPolarHBondContact CD1-OG 3.24Å; F119-S191 PolarHBondContact N-O 2.79Å; F119-S191 PolarHBondContact O-N 3.44Å |
| 120 | I | 87 | Confident | 83.7 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 103.5 | 174.5 | -53.2 | -178.2 | 0 | 0 | 0 | 107.7 | V118 L123 L132 Y159 A160 V162 A188 | V118-I120 HydrophobicContact CG1-CG1 4.05Å; I120-L123 HydrophobicContact CG2-CD1 4.26Å; I120-L123 HydrophobicContact CG2-CD2 3.74Å; I120-L123 HydrophobicContact CG2-CG 4.1Å; I120-L132 HydrophobicContact CD1-CD2 4.5Å; I120-Y159 CarbonylContact O-C 3.55Å; I120-Y159 WeakPolarHBondContact O-CA 3.44Å; I120-Y159 WeakPolarHBondContact O-CB 3.47Å; I120-A160 PolarHBondContact N-O 3.32Å; I120-A160 PolarHBondContact O-N 3.15Å; I120-V162 HydrophobicContact CD1-CB 4.47Å; I120-V162 HydrophobicContact CD1-CG2 3.64Å; I120-V162 HydrophobicContact CG1-CG2 4.42Å; I120-A188 HydrophobicContact CG2-CB 4.27Å |
| 121 | G | 85.4 | Confident | 83.9 | Confident | 4 Ų | 4 | 42.6 Ų | 42.6 | 4% | 0.041 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 169.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L123 N189 | G121-L123 VanDerWaalsContact C-N 3.32Å; G121-N189 PolarHBondContact N-O 3.45Å; G121-N189 PolarHBondContact O-N 3.06Å |
| 122 | G | 81.5 | Confident | 84.1 | Confident | 36 Ų | 36 | 41.8 Ų | 41.8 | 37% | 0.371 | 22% | 0.221 | S | C | . | . | S | Bend | trans | 77.4 | 17.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | G158 S186 | G122-G158 PolarHBondContact N-O 2.68Å; G122-S186 WeakPolarHBondContact O-CB 3.47Å; G122-S186 PolarHBondContact O-OG 2.93Å |
| 123 | L | 84.7 | Confident | 84.5 | Confident | 9 Ų | 9 | 44.7 Ų | 44.7 | 5% | 0.047 | 23% | 0.229 | C | C | . | . | trans | -73.3 | 136.5 | 179.1 | -61.5 | 176.9 | 0 | 0 | 0 | 111 | I120 G121 V127 L132 L147 G158 A160 F182 | I120-L123 HydrophobicContact CG2-CD1 4.26Å; I120-L123 HydrophobicContact CG2-CD2 3.74Å; I120-L123 HydrophobicContact CG2-CG 4.1Å; G121-L123 VanDerWaalsContact C-N 3.32Å; L123-V127 HydrophobicContact CD1-CG1 4.35Å; L123-V127 HydrophobicContact CD2-CG1 4.47Å; L123-L132 HydrophobicContact CD1-CD1 3.81Å; L123-L132 HydrophobicContact CD1-CD2 3.76Å; L123-L132 HydrophobicContact CD1-CG 4.36Å; L123-L132 HydrophobicContact CD2-CD2 3.79Å; L123-L132 HydrophobicContact CG-CD2 4.44Å; L123-L147 HydrophobicContact CD1-CD1 4.45Å; L123-G158 PolarHBondContact N-O 3.37Å; L123-G158 WeakPolarHBondContact O-CA 3.48Å; L123-A160 HydrophobicContact CD1-CB 3.72Å; L123-F182 HydrophobicContact CD2-CD1 3.79Å; L123-F182 HydrophobicContact CD2-CE1 4.02Å | ||
| 124 | P | 80.7 | Confident | 84.9 | Confident | 29 Ų | 29 | 48.2 Ų | 48.2 | 19% | 0.188 | 25% | 0.246 | C | C | . | . | trans | -73.2 | 161.8 | 171.9 | 33.1 | -35.1 | 0 | 0 | 0 | 110.7 | D126 V127 K183 | P124-D126 VanDerWaalsContact C-N 3.26Å; P124-D126 VanDerWaalsContact CB-OD1 3.22Å; P124-D126 WeakPolarHBondContact CB-OD1 3.3Å; P124-D126 WeakPolarHBondContact CG-OD1 3.12Å; P124-D126 PolarHBondContact O-N 2.81Å; P124-V127 HydrophobicContact CG-CG2 3.77Å; P124-V127 PolarHBondContact O-N 3.32Å; P124-K183 HydrophobicContact CG-CB 4.47Å | ||
| 125 | R | 81.8 | Confident | 85.2 | Confident | 180 Ų | 180 | 47.1 Ų | 47.1 | 68% | 0.679 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -18.2 | -168 | -65.1 | -170.4 | -172.4 | -169.6 | 4.2 | 114.7 | V127 D155 | R125-V127 VanDerWaalsContact C-N 3.35Å; R125-D155 WeakPolarHBondContact CD-OD2 3.42Å; R125-D155 IonicContact CZ-OD2 3.23Å; R125-D155 IonicContact NE-OD2 3.2Å; R125-D155 IonicContact NH1-OD2 3.03Å; R125-D155 PolarHBondContact NH1-OD2 3.33Å |
| 126 | D | 82.6 | Confident | 85.6 | Confident | 105 Ų | 105 | 46.4 Ų | 46.4 | 56% | 0.561 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -11.6 | 179.1 | 62.9 | -51.1 | 0 | 0 | 0 | 113.4 | P124 G128 | P124-D126 VanDerWaalsContact C-N 3.26Å; P124-D126 VanDerWaalsContact CB-OD1 3.22Å; P124-D126 WeakPolarHBondContact CB-OD1 3.3Å; P124-D126 WeakPolarHBondContact CG-OD1 3.12Å; P124-D126 PolarHBondContact O-N 2.81Å; D126-G128 PolarHBondContact O-N 3.16Å |
| 127 | V | 83.8 | Confident | 85.8 | Confident | 3 Ų | 3 | 52.2 Ų | 52.2 | 2% | 0.018 | 26% | 0.261 | C | S | . | . | trans | -71 | 125.7 | 178.2 | 162.6 | 0 | 0 | 0 | 0 | 111.4 | L123 P124 R125 D131 L132 L147 F182 K183 | L123-V127 HydrophobicContact CD1-CG1 4.35Å; L123-V127 HydrophobicContact CD2-CG1 4.47Å; P124-V127 HydrophobicContact CG-CG2 3.77Å; P124-V127 PolarHBondContact O-N 3.32Å; R125-V127 VanDerWaalsContact C-N 3.35Å; V127-D131 WeakPolarHBondContact CA-OD2 3.38Å; V127-D131 HydrophobicContact CG1-CB 4.34Å; V127-L132 HydrophobicContact CG1-CD1 4.13Å; V127-L132 HydrophobicContact CG1-CD2 3.96Å; V127-L132 HydrophobicContact CG1-CG 3.77Å; V127-L147 VanDerWaalsContact O-CD2 3.3Å; V127-L147 WeakPolarHBondContact O-CD2 3.38Å; V127-F182 HydrophobicContact CB-CE1 4.27Å; V127-F182 HydrophobicContact CG1-CE1 3.83Å; V127-F182 HydrophobicContact CG2-CD1 3.95Å; V127-F182 HydrophobicContact CG2-CE1 3.39Å; V127-F182 HydrophobicContact CG2-CZ 4.28Å; V127-K183 HydrophobicContact CG2-CD 3.98Å | ||
| 128 | G | 85.2 | Confident | 85.8 | Confident | 23 Ų | 23 | 57.7 Ų | 57.7 | 24% | 0.237 | 29% | 0.287 | C | S | . | . | trans | -88.1 | 177.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | D126 E130 D131 | D126-G128 PolarHBondContact O-N 3.16Å; G128-E130 VanDerWaalsContact C-N 3.32Å; G128-D131 PolarHBondContact N-OD2 3.43Å | ||
| 129 | E | 89 | Confident | 85.7 | Confident | 81 Ų | 81 | 58.3 Ų | 58.3 | 38% | 0.379 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -68.5 | -36.4 | 169.2 | -165.8 | -165.3 | 126.9 | 0 | 0 | 110.9 | L132 R133 V145 | E129-L132 PolarHBondContact O-N 2.92Å; E129-R133 WeakPolarHBondContact O-CB 3.03Å; E129-R133 PolarHBondContact O-N 2.9Å; E129-R133 IonicContact OE1-CZ 2.69Å; E129-R133 IonicContact OE1-NH2 3.82Å; E129-R133 PolarHBondContact OE1-NH2 2.86Å; E129-V145 HydrophobicContact CG-CB 3.53Å; E129-V145 HydrophobicContact CG-CG1 3.43Å; E129-V145 VanDerWaalsContact CG-CG1 3.43Å |
| 130 | E | 88.7 | Confident | 85.7 | Confident | 156 Ų | 156 | 56.4 Ų | 56.4 | 73% | 0.729 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -59.8 | -49.8 | 178.6 | -64.7 | 167.3 | -175.4 | 0 | 0 | 111.4 | G128 L132 R133 D134 | G128-E130 VanDerWaalsContact C-N 3.32Å; E130-L132 PolarHBondContact O-N 2.85Å; E130-L132 VanDerWaalsContact O-N 3.14Å; E130-R133 WeakPolarHBondContact O-CB 3.05Å; E130-R133 PolarHBondContact O-N 3.39Å; E130-D134 PolarHBondContact O-N 2.85Å |
| 131 | D | 86.9 | Confident | 85.8 | Confident | 47 Ų | 47 | 62.2 Ų | 62.2 | 25% | 0.251 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -57.1 | -33.6 | 177.7 | -60 | -64.7 | 0 | 0 | 0 | 113.2 | V127 G128 L135 F182 K183 | V127-D131 WeakPolarHBondContact CA-OD2 3.38Å; V127-D131 HydrophobicContact CG1-CB 4.34Å; G128-D131 PolarHBondContact N-OD2 3.43Å; D131-L135 WeakPolarHBondContact O-CB 3.49Å; D131-L135 PolarHBondContact O-N 3.07Å; D131-F182 HydrophobicContact CB-CZ 3.97Å; D131-K183 WeakPolarHBondContact OD1-CE 3.14Å; D131-K183 IonicContact OD1-NZ 2.78Å; D131-K183 PolarHBondContact OD1-NZ 2.79Å; D131-K183 IonicContact OD2-NZ 3.14Å; D131-K183 PolarHBondContact OD2-NZ 2.93Å |
| 132 | L | 86.7 | Confident | 86 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -79.8 | -34.5 | 178.8 | -64.9 | 170.7 | 0 | 0 | 0 | 111.7 | I120 L123 V127 E129 E130 C136 V145 L147 A160 F182 | I120-L132 HydrophobicContact CD1-CD2 4.5Å; L123-L132 HydrophobicContact CD1-CD1 3.81Å; L123-L132 HydrophobicContact CD1-CD2 3.76Å; L123-L132 HydrophobicContact CD1-CG 4.36Å; L123-L132 HydrophobicContact CD2-CD2 3.79Å; L123-L132 HydrophobicContact CG-CD2 4.44Å; V127-L132 HydrophobicContact CG1-CD1 4.13Å; V127-L132 HydrophobicContact CG1-CD2 3.96Å; V127-L132 HydrophobicContact CG1-CG 3.77Å; E129-L132 PolarHBondContact O-N 2.92Å; E130-L132 PolarHBondContact O-N 2.85Å; E130-L132 VanDerWaalsContact O-N 3.14Å; L132-C136 VanDerWaalsContact O-CB 3.3Å; L132-C136 WeakPolarHBondContact O-CB 3.42Å; L132-C136 PolarHBondContact O-N 2.72Å; L132-C136 PolarHBondContact O-SG 3.36Å; L132-V145 HydrophobicContact CB-CG1 4.14Å; L132-V145 HydrophobicContact CD1-CG1 4.3Å; L132-L147 HydrophobicContact CD1-CD1 4.33Å; L132-A160 HydrophobicContact CD1-CB 3.37Å; L132-F182 HydrophobicContact CD2-CE1 4.08Å; L132-F182 HydrophobicContact CD2-CZ 4.39Å |
| 133 | R | 89.9 | Confident | 86.3 | Confident | 82 Ų | 82 | 66.3 Ų | 66.3 | 31% | 0.309 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.6 | -53 | 174.1 | -174.2 | 178.2 | -65.6 | -88.1 | -1.9 | 109.6 | E129 E130 L135 C136 E137 I142 V145 | E129-R133 WeakPolarHBondContact O-CB 3.03Å; E129-R133 PolarHBondContact O-N 2.9Å; E129-R133 IonicContact OE1-CZ 2.69Å; E129-R133 IonicContact OE1-NH2 3.82Å; E129-R133 PolarHBondContact OE1-NH2 2.86Å; E130-R133 WeakPolarHBondContact O-CB 3.05Å; E130-R133 PolarHBondContact O-N 3.39Å; R133-L135 VanDerWaalsContact C-N 3.31Å; R133-L135 PolarHBondContact O-N 3.06Å; R133-C136 PolarHBondContact O-N 2.87Å; R133-C136 VanDerWaalsContact O-N 3.16Å; R133-E137 WeakPolarHBondContact O-CB 3.33Å; R133-E137 PolarHBondContact O-N 2.84Å; R133-I142 HydrophobicContact CB-CD1 4.38Å; R133-I142 HydrophobicContact CG-CD1 4Å; R133-I142 VanDerWaalsContact O-CD1 3.25Å; R133-I142 WeakPolarHBondContact O-CD1 3.25Å; R133-V145 HydrophobicContact CB-CG2 4.31Å |
| 134 | D | 87.7 | Confident | 86.4 | Confident | 109 Ų | 109 | 70.3 Ų | 70.3 | 58% | 0.583 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -56.7 | -44.1 | 179 | -63.3 | -12 | 0 | 0 | 0 | 111.8 | E130 | E130-D134 PolarHBondContact O-N 2.85Å |
| 135 | L | 84.8 | Confident | 86.8 | Confident | 25 Ų | 25 | 69.3 Ų | 69.3 | 13% | 0.131 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65.9 | -39.1 | 178.4 | 179.8 | 67.7 | 0 | 0 | 0 | 113.4 | D131 R133 L177 F182 | D131-L135 WeakPolarHBondContact O-CB 3.49Å; D131-L135 PolarHBondContact O-N 3.07Å; R133-L135 VanDerWaalsContact C-N 3.31Å; R133-L135 PolarHBondContact O-N 3.06Å; L135-L177 HydrophobicContact CD1-CD2 3.75Å; L135-L177 HydrophobicContact CD2-CD1 4.16Å; L135-L177 HydrophobicContact CD2-CD2 3.98Å; L135-L177 HydrophobicContact CG-CD1 4.17Å; L135-L177 HydrophobicContact CG-CD2 3.76Å; L135-F182 HydrophobicContact CB-CE2 4.38Å; L135-F182 HydrophobicContact CD2-CD2 3.86Å; L135-F182 HydrophobicContact CD2-CE2 3.7Å; L135-F182 HydrophobicContact CD2-CZ 4.19Å; L135-F182 HydrophobicContact CG-CE2 4.43Å |
| 136 | C | 85.5 | Confident | 87.1 | Confident | 1 Ų | 1 | 63.7 Ų | 63.7 | 1% | 0.007 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -85.8 | -24.2 | -177.3 | -74.1 | 0 | 0 | 0 | 0 | 112.7 | L132 R133 E138 I139 G140 I142 V162 F164 L177 | L132-C136 VanDerWaalsContact O-CB 3.3Å; L132-C136 WeakPolarHBondContact O-CB 3.42Å; L132-C136 PolarHBondContact O-N 2.72Å; L132-C136 PolarHBondContact O-SG 3.36Å; R133-C136 PolarHBondContact O-N 2.87Å; R133-C136 VanDerWaalsContact O-N 3.16Å; C136-E138 VanDerWaalsContact C-N 3.3Å; C136-E138 PolarHBondContact O-N 2.8Å; C136-I139 WeakPolarHBondContact O-CB 2.96Å; C136-I139 PolarHBondContact O-N 3.25Å; C136-G140 PolarHBondContact O-N 3.3Å; C136-I142 HydrophobicContact CB-CD1 3.47Å; C136-I142 VanDerWaalsContact CB-CD1 3.47Å; C136-I142 HydrophobicContact CB-CG1 3.97Å; C136-V162 HydrophobicContact CB-CG1 4.02Å; C136-F164 HydrophobicContact CB-CE1 3.96Å; C136-F164 HydrophobicContact CB-CZ 3.67Å; C136-L177 VanDerWaalsContact SG-CD1 3.59Å |
| 137 | E | 88.8 | Confident | 87.4 | Confident | 122 Ų | 122 | 59.7 Ų | 59.7 | 57% | 0.57 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -71.7 | -26.1 | 179.2 | -171 | 164.2 | 174.5 | 0 | 0 | 111.8 | R133 I139 I142 | R133-E137 WeakPolarHBondContact O-CB 3.33Å; R133-E137 PolarHBondContact O-N 2.84Å; E137-I139 PolarHBondContact O-N 2.74Å; E137-I142 HydrophobicContact CB-CD1 4.14Å |
| 138 | E | 86.2 | Confident | 87.6 | Confident | 138 Ų | 138 | 62.1 Ų | 62.1 | 65% | 0.645 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -28 | 166.5 | -173.8 | 173.2 | -142.1 | 0 | 0 | 112.4 | C136 K180 | C136-E138 VanDerWaalsContact C-N 3.3Å; C136-E138 PolarHBondContact O-N 2.8Å; E138-K180 IonicContact OE2-NZ 3.66Å |
| 139 | I | 85.8 | Confident | 87.7 | Confident | 15 Ų | 15 | 66.5 Ų | 66.5 | 8% | 0.077 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | -34.8 | -175.3 | -50.2 | -175.3 | 0 | 0 | 0 | 111.8 | C136 E137 K172 A173 E176 L177 | C136-I139 WeakPolarHBondContact O-CB 2.96Å; C136-I139 PolarHBondContact O-N 3.25Å; E137-I139 PolarHBondContact O-N 2.74Å; I139-K172 HydrophobicContact CG2-CB 4.29Å; I139-K172 HydrophobicContact CG2-CD 4.09Å; I139-K172 HydrophobicContact CG2-CG 3.88Å; I139-A173 HydrophobicContact CD1-CB 4.07Å; I139-A173 HydrophobicContact CG2-CB 4.04Å; I139-E176 HydrophobicContact CD1-CB 4.16Å; I139-E176 HydrophobicContact CD1-CG 4.22Å; I139-L177 HydrophobicContact CD1-CD1 3.69Å; I139-L177 HydrophobicContact CD1-CD2 3.72Å; I139-L177 HydrophobicContact CD1-CG 3.44Å; I139-L177 VanDerWaalsContact CD1-CG 3.44Å |
| 140 | G | 87 | Confident | 87.5 | Confident | 19 Ų | 19 | 65.9 Ų | 65.9 | 20% | 0.196 | 31% | 0.314 | C | S | . | . | S | Bend | trans | 165.8 | -177.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | C136 I142 | C136-G140 PolarHBondContact O-N 3.3Å; G140-I142 PolarHBondContact O-N 3.34Å; G140-I142 VanDerWaalsContact O-N 3.13Å |
| 141 | E | 88.9 | Confident | 87.1 | Confident | 123 Ų | 123 | 68.5 Ų | 68.5 | 58% | 0.575 | 32% | 0.318 | S | S | * | . | trans | -61.1 | 113.3 | -172.8 | -68.2 | -175.9 | -144.1 | 0 | 0 | 113.5 | K165 | E141-K165 HydrophobicContact CB-CB 4.3Å; E141-K165 HydrophobicContact CB-CD 4.21Å; E141-K165 PolarHBondContact O-N 3.42Å; E141-K165 VanDerWaalsContact O-N 3.08Å; E141-K165 IonicContact OE1-NZ 2.61Å; E141-K165 PolarHBondContact OE1-NZ 2.99Å; E141-K165 WeakPolarHBondContact OE2-CD 3.17Å; E141-K165 WeakPolarHBondContact OE2-CE 3.41Å; E141-K165 IonicContact OE2-NZ 2.82Å; E141-K165 PolarHBondContact OE2-NZ 3.44Å | ||
| 142 | I | 89.8 | Confident | 86.8 | Confident | 29 Ų | 29 | 72.1 Ų | 72.1 | 15% | 0.149 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 132.7 | 173.6 | -55.8 | 169.6 | 0 | 0 | 0 | 110.1 | R133 C136 E137 G140 V145 V162 F164 | R133-I142 HydrophobicContact CB-CD1 4.38Å; R133-I142 HydrophobicContact CG-CD1 4Å; R133-I142 VanDerWaalsContact O-CD1 3.25Å; R133-I142 WeakPolarHBondContact O-CD1 3.25Å; C136-I142 HydrophobicContact CB-CD1 3.47Å; C136-I142 VanDerWaalsContact CB-CD1 3.47Å; C136-I142 HydrophobicContact CB-CG1 3.97Å; E137-I142 HydrophobicContact CB-CD1 4.14Å; G140-I142 PolarHBondContact O-N 3.34Å; G140-I142 VanDerWaalsContact O-N 3.13Å; I142-V145 HydrophobicContact CD1-CG2 4.41Å; I142-V145 HydrophobicContact CG2-CG2 3.69Å; I142-V162 HydrophobicContact CD1-CG1 4.38Å; I142-V162 HydrophobicContact CG1-CG1 4.16Å; I142-V162 HydrophobicContact CG2-CG1 3.87Å; I142-F164 HydrophobicContact CG1-CD1 4.2Å; I142-F164 HydrophobicContact CG1-CE1 3.92Å |
| 143 | F | 87.2 | Confident | 86.5 | Confident | 97 Ų | 97 | 75.7 Ų | 75.7 | 43% | 0.425 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | -50.1 | 171.2 | -169.2 | -79.7 | 0 | 0 | 0 | 112 | L111 P112 A163 | L111-F143 HydrophobicContact CD2-CD1 4.31Å; L111-F143 HydrophobicContact CD2-CE1 3.27Å; L111-F143 HydrophobicContact CD2-CZ 3.57Å; P112-F143 HydrophobicContact CG-CB 3.95Å; P112-F143 HydrophobicContact CG-CD1 4.27Å; P112-F143 HydrophobicContact CG-CD2 3.73Å; P112-F143 HydrophobicContact CG-CE2 4.36Å; P112-F143 HydrophobicContact CG-CG 3.69Å; F143-A163 WeakPolarHBondContact CA-O 3.42Å; F143-A163 HydrophobicContact CB-CB 4.4Å; F143-A163 WeakPolarHBondContact CB-O 3.33Å; F143-A163 PolarHBondContact N-O 3.4Å |
| 144 | E | 88 | Confident | 86 | Confident | 93 Ų | 93 | 74 Ų | 74 | 44% | 0.435 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 145.1 | -178.3 | -175.4 | -177.8 | 166.2 | 0 | 0 | 110.9 | V162 A163 | E144-V162 CarbonylContact O-C 3.59Å; E144-A163 HydrophobicContact CB-CB 4.18Å; E144-A163 PolarHBondContact N-O 3.42Å; E144-A163 VanDerWaalsContact N-O 3.15Å; E144-A163 PolarHBondContact O-N 2.89Å |
| 145 | V | 89.1 | Confident | 85.7 | Confident | 7 Ų | 7 | 71.3 Ų | 71.3 | 4% | 0.042 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 130 | 168.3 | -174.6 | 0 | 0 | 0 | 0 | 108.7 | E129 L132 R133 I142 V162 | E129-V145 HydrophobicContact CG-CB 3.53Å; E129-V145 HydrophobicContact CG-CG1 3.43Å; E129-V145 VanDerWaalsContact CG-CG1 3.43Å; L132-V145 HydrophobicContact CB-CG1 4.14Å; L132-V145 HydrophobicContact CD1-CG1 4.3Å; R133-V145 HydrophobicContact CB-CG2 4.31Å; I142-V145 HydrophobicContact CD1-CG2 4.41Å; I142-V145 HydrophobicContact CG2-CG2 3.69Å; V145-V162 HydrophobicContact CG1-CG2 4.19Å; V145-V162 HydrophobicContact CG2-CG1 4.42Å; V145-V162 HydrophobicContact CG2-CG2 4.44Å |
| 146 | R | 87.8 | Confident | 85.6 | Confident | 62 Ų | 62 | 70.6 Ų | 70.6 | 23% | 0.234 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 89.6 | -177 | -177.6 | 173.7 | 63 | 179.1 | -5 | 110.5 | E117 M148 A160 F161 N249 | E117-R146 IonicContact OE1-CZ 3.12Å; E117-R146 IonicContact OE1-NE 2.8Å; E117-R146 IonicContact OE1-NH2 2.67Å; E117-R146 PolarHBondContact OE1-NH2 2.99Å; E117-R146 IonicContact OE2-NH2 3.94Å; R146-M148 HydrophobicContact CG-CE 4.33Å; R146-M148 PolarHBondContact O-N 2.82Å; R146-A160 WeakPolarHBondContact O-CA 3.27Å; R146-F161 HydrophobicContact CB-CB 4.42Å; R146-F161 PolarHBondContact N-O 3.41Å; R146-F161 PolarHBondContact O-N 2.8Å; R146-N249 VanDerWaalsContact CZ-OD1 3.27Å; R146-N249 PolarHBondContact NH1-OD1 3.02Å; R146-N249 PolarHBondContact NH2-OD1 3.23Å |
| 147 | L | 89 | Confident | 85.5 | Confident | 22 Ų | 22 | 75.5 Ų | 75.5 | 12% | 0.115 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 115.7 | 174.3 | 177.5 | 59.8 | 0 | 0 | 0 | 110.7 | L123 V127 L132 K149 A160 | L123-L147 HydrophobicContact CD1-CD1 4.45Å; V127-L147 VanDerWaalsContact O-CD2 3.3Å; V127-L147 WeakPolarHBondContact O-CD2 3.38Å; L132-L147 HydrophobicContact CD1-CD1 4.33Å; L147-K149 HydrophobicContact CG-CG 4.42Å; L147-K149 PolarHBondContact O-N 3.18Å; L147-A160 HydrophobicContact CB-CB 4.45Å; L147-A160 HydrophobicContact CD1-CB 4Å |
| 148 | M | 87.1 | Confident | 85.3 | Confident | 53 Ų | 53 | 70.5 Ų | 70.5 | 26% | 0.261 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 112 | -176.2 | -74.7 | -73.2 | -165.8 | 0 | 0 | 111 | R146 K157 Y159 F161 | R146-M148 HydrophobicContact CG-CE 4.33Å; R146-M148 PolarHBondContact O-N 2.82Å; M148-K157 HydrophobicContact CB-CD 4.42Å; M148-K157 VanDerWaalsContact O-CB 3.3Å; M148-K157 WeakPolarHBondContact O-CB 3.32Å; M148-K157 WeakPolarHBondContact O-CG 3.15Å; M148-K157 PolarHBondContact O-N 2.83Å; M148-Y159 HydrophobicContact CB-CD2 3.95Å; M148-Y159 HydrophobicContact CB-CE1 4.31Å; M148-Y159 HydrophobicContact CB-CE2 3.55Å; M148-Y159 HydrophobicContact CG-CD2 4.04Å; M148-Y159 HydrophobicContact CG-CE2 3.48Å; M148-Y159 VanDerWaalsContact CG-CE2 3.48Å; M148-Y159 PolarHBondContact N-O 2.87Å; M148-Y159 VanDerWaalsContact N-O 3.16Å; M148-F161 HydrophobicContact CE-CD2 4.09Å; M148-F161 HydrophobicContact CE-CE2 3.76Å; M148-F161 HydrophobicContact CG-CD2 4.15Å; M148-F161 HydrophobicContact CG-CE2 4Å |
| 149 | K | 88 | Confident | 85.4 | Confident | 115 Ų | 115 | 67.1 Ų | 67.1 | 50% | 0.5 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 150.8 | 178.3 | -65.8 | 175.7 | -178.8 | 177.9 | 0 | 111.4 | L147 D155 K157 | L147-K149 HydrophobicContact CG-CG 4.42Å; L147-K149 PolarHBondContact O-N 3.18Å; K149-D155 CarbonylContact C-O 3.52Å; K149-D155 WeakPolarHBondContact CA-O 3.23Å; K149-K157 VanDerWaalsContact O-CE 3.24Å; K149-K157 WeakPolarHBondContact O-CE 3.31Å |
| 150 | D | 84.3 | Confident | 85.5 | Confident | 68 Ų | 68 | 66.4 Ų | 66.4 | 36% | 0.364 | 33% | 0.332 | S | S | . | . | trans | -75.3 | 133.2 | 173.5 | -167.2 | 19.7 | 0 | 0 | 0 | 110.1 | D152 G154 D155 K157 | D150-D152 PolarHBondContact O-N 2.67Å; D150-G154 VanDerWaalsContact O-CA 3.31Å; D150-G154 WeakPolarHBondContact O-CA 3.41Å; D150-G154 PolarHBondContact O-N 3.43Å; D150-D155 PolarHBondContact N-O 3.24Å; D150-K157 HydrophobicContact CB-CG 4.17Å | ||
| 151 | R | 80.8 | Confident | 85.6 | Confident | 212 Ų | 212 | 66.6 Ų | 66.6 | 80% | 0.8 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -32.4 | -173.1 | -173.7 | -167.3 | 63.4 | -158.1 | -10.3 | 111.3 | ||
| 152 | D | 80.8 | Confident | 85.6 | Confident | 123 Ų | 123 | 60.7 Ų | 60.7 | 66% | 0.658 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | -26.1 | -169.3 | -56.8 | -16.6 | 0 | 0 | 0 | 112 | D150 | D150-D152 PolarHBondContact O-N 2.67Š|
| 153 | S | 81.2 | Confident | 85.6 | Confident | 75 Ų | 75 | 60 Ų | 60 | 52% | 0.524 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | -28.3 | 176.5 | -158.3 | 0 | 0 | 0 | 0 | 114.3 | D155 | S153-D155 WeakPolarHBondContact CB-OD1 3.3Å; S153-D155 PolarHBondContact O-N 3.44Å; S153-D155 PolarHBondContact OG-OD1 3.35Å |
| 154 | G | 79.1 | Confident | 85.7 | Confident | 45 Ų | 45 | 55.4 Ų | 55.4 | 46% | 0.464 | 28% | 0.279 | S | S | . | . | trans | 80.5 | -17.2 | -168.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | D150 | D150-G154 VanDerWaalsContact O-CA 3.31Å; D150-G154 WeakPolarHBondContact O-CA 3.41Å; D150-G154 PolarHBondContact O-N 3.43Å | ||
| 155 | D | 80.3 | Confident | 85.7 | Confident | 53 Ų | 53 | 56.5 Ų | 56.5 | 28% | 0.283 | 28% | 0.282 | S | S | . | . | trans | -54.4 | 143.1 | 173.2 | -67.1 | 43.3 | 0 | 0 | 0 | 112.6 | R125 K149 D150 S153 K157 | R125-D155 WeakPolarHBondContact CD-OD2 3.42Å; R125-D155 IonicContact CZ-OD2 3.23Å; R125-D155 IonicContact NE-OD2 3.2Å; R125-D155 IonicContact NH1-OD2 3.03Å; R125-D155 PolarHBondContact NH1-OD2 3.33Å; K149-D155 CarbonylContact C-O 3.52Å; K149-D155 WeakPolarHBondContact CA-O 3.23Å; D150-D155 PolarHBondContact N-O 3.24Å; S153-D155 WeakPolarHBondContact CB-OD1 3.3Å; S153-D155 PolarHBondContact O-N 3.44Å; S153-D155 PolarHBondContact OG-OD1 3.35Å; D155-K157 PolarHBondContact O-N 2.81Å | ||
| 156 | S | 83.2 | Confident | 85.5 | Confident | 10 Ų | 10 | 58.9 Ų | 58.9 | 7% | 0.07 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 131.8 | 167 | -57.9 | 0 | 0 | 0 | 0 | 110.8 | G158 | S156-G158 PolarHBondContact O-N 3.46Å |
| 157 | K | 84.3 | Confident | 85.5 | Confident | 105 Ų | 105 | 59.6 Ų | 59.6 | 46% | 0.457 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 4.1 | 176.6 | -65.6 | -177.7 | 177.3 | 168.8 | 0 | 113.7 | M148 K149 D150 D155 Y159 | M148-K157 HydrophobicContact CB-CD 4.42Å; M148-K157 VanDerWaalsContact O-CB 3.3Å; M148-K157 WeakPolarHBondContact O-CB 3.32Å; M148-K157 WeakPolarHBondContact O-CG 3.15Å; M148-K157 PolarHBondContact O-N 2.83Å; K149-K157 VanDerWaalsContact O-CE 3.24Å; K149-K157 WeakPolarHBondContact O-CE 3.31Å; D150-K157 HydrophobicContact CB-CG 4.17Å; D155-K157 PolarHBondContact O-N 2.81Å; K157-Y159 HydrophobicContact CB-CD1 3.77Å; K157-Y159 HydrophobicContact CB-CE1 3.48Å; K157-Y159 VanDerWaalsContact CB-CE1 3.48Å; K157-Y159 HydrophobicContact CD-CE1 3.91Å; K157-Y159 HydrophobicContact CG-CE1 4.35Å |
| 158 | G | 83.6 | Confident | 85.4 | Confident | 16 Ų | 16 | 64.5 Ų | 64.5 | 17% | 0.165 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 76.8 | 20.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | G122 L123 S156 | G122-G158 PolarHBondContact N-O 2.68Å; L123-G158 PolarHBondContact N-O 3.37Å; L123-G158 WeakPolarHBondContact O-CA 3.48Å; S156-G158 PolarHBondContact O-N 3.46Å |
| 159 | Y | 88.1 | Confident | 85.4 | Confident | 67 Ų | 67 | 63.6 Ų | 63.6 | 26% | 0.263 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 155.9 | 170.9 | 68.4 | -85.5 | 0 | 0 | 0 | 112.5 | F119 I120 M148 K157 F161 | F119-Y159 HydrophobicContact CD2-CD2 4.08Å; F119-Y159 AromaticContact CE2-CD2 3.44Å; F119-Y159 HydrophobicContact CE2-CD2 3.44Å; F119-Y159 VanDerWaalsContact CE2-CD2 3.44Å; F119-Y159 HydrophobicContact CE2-CE2 4.23Å; F119-Y159 AromaticContact CE2-CG 3.69Å; F119-Y159 HydrophobicContact CE2-CG 3.69Å; F119-Y159 HydrophobicContact CZ-CD2 4.35Å; F119-Y159 HydrophobicContact CZ-CG 4.16Å; I120-Y159 CarbonylContact O-C 3.55Å; I120-Y159 WeakPolarHBondContact O-CA 3.44Å; I120-Y159 WeakPolarHBondContact O-CB 3.47Å; M148-Y159 HydrophobicContact CB-CD2 3.95Å; M148-Y159 HydrophobicContact CB-CE1 4.31Å; M148-Y159 HydrophobicContact CB-CE2 3.55Å; M148-Y159 HydrophobicContact CG-CD2 4.04Å; M148-Y159 HydrophobicContact CG-CE2 3.48Å; M148-Y159 VanDerWaalsContact CG-CE2 3.48Å; M148-Y159 PolarHBondContact N-O 2.87Å; M148-Y159 VanDerWaalsContact N-O 3.16Å; K157-Y159 HydrophobicContact CB-CD1 3.77Å; K157-Y159 HydrophobicContact CB-CE1 3.48Å; K157-Y159 VanDerWaalsContact CB-CE1 3.48Å; K157-Y159 HydrophobicContact CD-CE1 3.91Å; K157-Y159 HydrophobicContact CG-CE1 4.35Å; Y159-F161 HydrophobicContact CD2-CE2 4.05Å; Y159-F161 HydrophobicContact CD2-CZ 4.46Å; Y159-F161 AromaticContact CE2-CE2 3.81Å; Y159-F161 HydrophobicContact CE2-CE2 3.81Å; Y159-F161 HydrophobicContact CE2-CZ 4.27Å |
| 160 | A | 88.5 | Confident | 85.4 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 169.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | I120 L123 L132 R146 L147 | I120-A160 PolarHBondContact N-O 3.32Å; I120-A160 PolarHBondContact O-N 3.15Å; L123-A160 HydrophobicContact CD1-CB 3.72Å; L132-A160 HydrophobicContact CD1-CB 3.37Å; R146-A160 WeakPolarHBondContact O-CA 3.27Å; L147-A160 HydrophobicContact CB-CB 4.45Å; L147-A160 HydrophobicContact CD1-CB 4Å |
| 161 | F | 89.1 | Confident | 85.5 | Confident | 23 Ų | 23 | 59.1 Ų | 59.1 | 10% | 0.101 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 142.2 | 166.1 | -59.7 | -91.4 | 0 | 0 | 0 | 110.2 | E117 V118 F119 R146 M148 Y159 | E117-F161 HydrophobicContact CG-CB 3.97Å; E117-F161 HydrophobicContact CG-CD1 4.21Å; E117-F161 WeakPolarHBondContact OE1-CB 3.41Å; E117-F161 WeakPolarHBondContact OE1-CD1 3.39Å; E117-F161 VanDerWaalsContact OE1-CG 3.24Å; E117-F161 WeakPolarHBondContact OE1-CG 3.31Å; V118-F161 CarbonylContact O-C 3.59Å; V118-F161 VanDerWaalsContact O-CA 3.25Å; V118-F161 WeakPolarHBondContact O-CA 3.4Å; F119-F161 HydrophobicContact CB-CD1 4.04Å; F119-F161 HydrophobicContact CB-CE1 3.97Å; F119-F161 HydrophobicContact CD2-CD1 4.23Å; F119-F161 AromaticContact CD2-CE1 3.66Å; F119-F161 HydrophobicContact CD2-CE1 3.66Å; F119-F161 AromaticContact CD2-CZ 3.86Å; F119-F161 HydrophobicContact CD2-CZ 3.86Å; F119-F161 HydrophobicContact CG-CE1 4.31Å; R146-F161 HydrophobicContact CB-CB 4.42Å; R146-F161 PolarHBondContact N-O 3.41Å; R146-F161 PolarHBondContact O-N 2.8Å; M148-F161 HydrophobicContact CE-CD2 4.09Å; M148-F161 HydrophobicContact CE-CE2 3.76Å; M148-F161 HydrophobicContact CG-CD2 4.15Å; M148-F161 HydrophobicContact CG-CE2 4Å; Y159-F161 HydrophobicContact CD2-CE2 4.05Å; Y159-F161 HydrophobicContact CD2-CZ 4.46Å; Y159-F161 AromaticContact CE2-CE2 3.81Å; Y159-F161 HydrophobicContact CE2-CE2 3.81Å; Y159-F161 HydrophobicContact CE2-CZ 4.27Å |
| 162 | V | 89.2 | Confident | 85.7 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 112.3 | 176.4 | -179.4 | 0 | 0 | 0 | 0 | 108.1 | E117 V118 I120 C136 I142 E144 V145 F164 | E117-V162 CarbonylContact C-O 3.53Å; E117-V162 WeakPolarHBondContact CA-O 3.5Å; V118-V162 PolarHBondContact N-O 3.11Å; V118-V162 PolarHBondContact O-N 3.38Å; I120-V162 HydrophobicContact CD1-CB 4.47Å; I120-V162 HydrophobicContact CD1-CG2 3.64Å; I120-V162 HydrophobicContact CG1-CG2 4.42Å; C136-V162 HydrophobicContact CB-CG1 4.02Å; I142-V162 HydrophobicContact CD1-CG1 4.38Å; I142-V162 HydrophobicContact CG1-CG1 4.16Å; I142-V162 HydrophobicContact CG2-CG1 3.87Å; E144-V162 CarbonylContact O-C 3.59Å; V145-V162 HydrophobicContact CG1-CG2 4.19Å; V145-V162 HydrophobicContact CG2-CG1 4.42Å; V145-V162 HydrophobicContact CG2-CG2 4.44Å; V162-F164 HydrophobicContact CB-CE2 4.18Å; V162-F164 HydrophobicContact CG1-CD2 4.16Å; V162-F164 HydrophobicContact CG1-CE1 4.26Å; V162-F164 HydrophobicContact CG1-CE2 3.66Å; V162-F164 HydrophobicContact CG1-CZ 3.74Å |
| 163 | A | 89.2 | Confident | 86 | Confident | 15 Ų | 15 | 47.8 Ų | 47.8 | 12% | 0.124 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 120.2 | 172 | 0 | 0 | 0 | 0 | 0 | 109.3 | E117 F143 E144 | E117-A163 HydrophobicContact CB-CB 4.35Å; F143-A163 WeakPolarHBondContact CA-O 3.42Å; F143-A163 HydrophobicContact CB-CB 4.4Å; F143-A163 WeakPolarHBondContact CB-O 3.33Å; F143-A163 PolarHBondContact N-O 3.4Å; E144-A163 HydrophobicContact CB-CB 4.18Å; E144-A163 PolarHBondContact N-O 3.42Å; E144-A163 VanDerWaalsContact N-O 3.15Å; E144-A163 PolarHBondContact O-N 2.89Å |
| 164 | F | 89.9 | Confident | 86.2 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 163.4 | 170.6 | -66.3 | -85.8 | 0 | 0 | 0 | 111 | P112 S116 V118 C136 I142 V162 T166 V169 A170 A173 | P112-F164 WeakPolarHBondContact CB-O 3.26Å; P112-F164 WeakPolarHBondContact CG-O 3.49Å; S116-F164 VanDerWaalsContact CB-O 3.3Å; S116-F164 WeakPolarHBondContact CB-O 3.24Å; S116-F164 PolarHBondContact O-N 2.74Å; V118-F164 HydrophobicContact CB-CE2 4.25Å; V118-F164 HydrophobicContact CG2-CD2 3.93Å; V118-F164 HydrophobicContact CG2-CE2 3.69Å; C136-F164 HydrophobicContact CB-CE1 3.96Å; C136-F164 HydrophobicContact CB-CZ 3.67Å; I142-F164 HydrophobicContact CG1-CD1 4.2Å; I142-F164 HydrophobicContact CG1-CE1 3.92Å; V162-F164 HydrophobicContact CB-CE2 4.18Å; V162-F164 HydrophobicContact CG1-CD2 4.16Å; V162-F164 HydrophobicContact CG1-CE1 4.26Å; V162-F164 HydrophobicContact CG1-CE2 3.66Å; V162-F164 HydrophobicContact CG1-CZ 3.74Å; F164-T166 VanDerWaalsContact C-N 3.29Å; F164-T166 PolarHBondContact O-N 2.66Å; F164-V169 HydrophobicContact CB-CB 4.33Å; F164-V169 HydrophobicContact CB-CG1 4.17Å; F164-V169 HydrophobicContact CD1-CB 4.42Å; F164-V169 HydrophobicContact CD1-CG1 3.4Å; F164-V169 VanDerWaalsContact CD1-CG1 3.4Å; F164-V169 HydrophobicContact CE1-CG1 3.89Å; F164-V169 HydrophobicContact CG-CB 4.49Å; F164-V169 HydrophobicContact CG-CG1 3.88Å; F164-A170 HydrophobicContact CB-CB 4.28Å; F164-A170 HydrophobicContact CD2-CB 3.83Å; F164-A170 HydrophobicContact CG-CB 4.41Å; F164-A173 HydrophobicContact CD2-CB 4.48Å; F164-A173 HydrophobicContact CE1-CB 4.35Å; F164-A173 HydrophobicContact CE2-CB 3.54Å; F164-A173 HydrophobicContact CZ-CB 3.44Å; F164-A173 VanDerWaalsContact CZ-CB 3.44Å |
| 165 | K | 86.8 | Confident | 86.5 | Confident | 115 Ų | 115 | 49.7 Ų | 49.7 | 50% | 0.5 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -66.6 | -27 | 176.8 | -169 | 175.1 | -177.6 | -178 | 0 | 113.8 | E141 | E141-K165 HydrophobicContact CB-CB 4.3Å; E141-K165 HydrophobicContact CB-CD 4.21Å; E141-K165 PolarHBondContact O-N 3.42Å; E141-K165 VanDerWaalsContact O-N 3.08Å; E141-K165 IonicContact OE1-NZ 2.61Å; E141-K165 PolarHBondContact OE1-NZ 2.99Å; E141-K165 WeakPolarHBondContact OE2-CD 3.17Å; E141-K165 WeakPolarHBondContact OE2-CE 3.41Å; E141-K165 IonicContact OE2-NZ 2.82Å; E141-K165 PolarHBondContact OE2-NZ 3.44Å |
| 166 | T | 86 | Confident | 86.6 | Confident | 57 Ų | 57 | 50.8 Ų | 50.8 | 35% | 0.35 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -136.2 | 153.3 | -179 | 66.7 | 0 | 0 | 0 | 0 | 112.1 | F164 D168 V169 A170 | F164-T166 VanDerWaalsContact C-N 3.29Å; F164-T166 PolarHBondContact O-N 2.66Å; T166-D168 VanDerWaalsContact C-N 3.28Å; T166-D168 PolarHBondContact O-N 3.44Å; T166-V169 VanDerWaalsContact OG1-CG2 3.31Å; T166-V169 WeakPolarHBondContact OG1-CG2 3.29Å; T166-V169 PolarHBondContact OG1-N 2.78Å; T166-A170 PolarHBondContact O-N 2.75Å |
| 167 | K | 86.3 | Confident | 86.4 | Confident | 78 Ų | 78 | 50.3 Ų | 50.3 | 34% | 0.339 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.2 | -33.6 | 176.1 | -55.5 | -168.6 | -170.3 | -152.3 | 0 | 112.1 | P113 H114 S116 A170 Q171 | P113-K167 HydrophobicContact CG-CG 4.46Å; H114-K167 PolarHBondContact CD2-NZ 3.35Å; H114-K167 PolarHBondContact NE2-NZ 3.24Å; H114-K167 WeakPolarHBondContact O-CD 3.41Å; H114-K167 WeakPolarHBondContact O-CE 3.41Å; H114-K167 PolarHBondContact O-NZ 3.13Å; S116-K167 WeakPolarHBondContact OG-CG 3.47Å; K167-A170 WeakPolarHBondContact O-CB 3.14Å; K167-A170 PolarHBondContact O-N 2.88Å; K167-Q171 PolarHBondContact O-N 2.84Å |
| 168 | D | 86.9 | Confident | 86 | Confident | 124 Ų | 124 | 49.9 Ų | 49.9 | 66% | 0.663 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -69.1 | -41.1 | -177.6 | -47.9 | -61.3 | 0 | 0 | 0 | 111.7 | T166 Q171 K172 | T166-D168 VanDerWaalsContact C-N 3.28Å; T166-D168 PolarHBondContact O-N 3.44Å; D168-Q171 PolarHBondContact O-N 3.36Å; D168-K172 PolarHBondContact O-N 3.14Å |
| 169 | V | 88.6 | Confident | 85.1 | Confident | 35 Ų | 35 | 52.6 Ų | 52.6 | 21% | 0.212 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.9 | -39.5 | 173.8 | 175.7 | 0 | 0 | 0 | 0 | 110.6 | F164 T166 Q171 K172 A173 | F164-V169 HydrophobicContact CB-CB 4.33Å; F164-V169 HydrophobicContact CB-CG1 4.17Å; F164-V169 HydrophobicContact CD1-CB 4.42Å; F164-V169 HydrophobicContact CD1-CG1 3.4Å; F164-V169 VanDerWaalsContact CD1-CG1 3.4Å; F164-V169 HydrophobicContact CE1-CG1 3.89Å; F164-V169 HydrophobicContact CG-CB 4.49Å; F164-V169 HydrophobicContact CG-CG1 3.88Å; T166-V169 VanDerWaalsContact OG1-CG2 3.31Å; T166-V169 WeakPolarHBondContact OG1-CG2 3.29Å; T166-V169 PolarHBondContact OG1-N 2.78Å; V169-Q171 VanDerWaalsContact C-N 3.34Å; V169-Q171 PolarHBondContact O-N 2.74Å; V169-K172 PolarHBondContact O-N 2.96Å; V169-A173 WeakPolarHBondContact O-CB 3.5Å; V169-A173 PolarHBondContact O-N 3.02Å |
| 170 | A | 87.3 | Confident | 84.3 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.9 | -39.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | G115 S116 V118 F164 T166 K167 I174 | G115-A170 WeakPolarHBondContact O-CB 3.48Å; S116-A170 WeakPolarHBondContact O-CB 3.18Å; V118-A170 HydrophobicContact CG2-CB 3.75Å; V118-A170 VanDerWaalsContact CG2-O 3.25Å; V118-A170 WeakPolarHBondContact CG2-O 3.46Å; F164-A170 HydrophobicContact CB-CB 4.28Å; F164-A170 HydrophobicContact CD2-CB 3.83Å; F164-A170 HydrophobicContact CG-CB 4.41Å; T166-A170 PolarHBondContact O-N 2.75Å; K167-A170 WeakPolarHBondContact O-CB 3.14Å; K167-A170 PolarHBondContact O-N 2.88Å; A170-I174 WeakPolarHBondContact O-CG1 3.35Å; A170-I174 PolarHBondContact O-N 3.18Å; A170-I174 VanDerWaalsContact O-N 3.16Å |
| 171 | Q | 85.7 | Confident | 83.2 | Confident | 88 Ų | 88 | 61 Ų | 61 | 41% | 0.411 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -67.6 | -45.8 | 174.5 | -168.3 | -175.7 | -46.2 | 0 | 0 | 111.4 | K167 D168 V169 A173 I174 E175 | K167-Q171 PolarHBondContact O-N 2.84Å; D168-Q171 PolarHBondContact O-N 3.36Å; V169-Q171 VanDerWaalsContact C-N 3.34Å; V169-Q171 PolarHBondContact O-N 2.74Å; Q171-A173 VanDerWaalsContact C-N 3.29Å; Q171-A173 PolarHBondContact O-N 3.46Å; Q171-I174 WeakPolarHBondContact O-CB 3.29Å; Q171-I174 PolarHBondContact O-N 3.06Å; Q171-E175 WeakPolarHBondContact CG-OE1 3.28Å; Q171-E175 PolarHBondContact NE2-OE1 3.35Å; Q171-E175 PolarHBondContact O-N 3.3Å |
| 172 | K | 86.6 | Confident | 82.1 | Confident | 97 Ų | 97 | 61.2 Ų | 61.2 | 42% | 0.422 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -56.8 | -43.3 | 174.2 | -177.1 | 176.3 | -175.5 | -80.7 | 0 | 111.5 | I139 D168 V169 I174 E175 E176 | I139-K172 HydrophobicContact CG2-CB 4.29Å; I139-K172 HydrophobicContact CG2-CD 4.09Å; I139-K172 HydrophobicContact CG2-CG 3.88Å; D168-K172 PolarHBondContact O-N 3.14Å; V169-K172 PolarHBondContact O-N 2.96Å; K172-I174 VanDerWaalsContact C-N 3.25Å; K172-I174 PolarHBondContact O-N 3.26Å; K172-E175 PolarHBondContact O-N 3.47Å; K172-E175 VanDerWaalsContact O-N 3.15Å; K172-E176 IonicContact NZ-OE2 3.09Å; K172-E176 PolarHBondContact NZ-OE2 2.79Å; K172-E176 VanDerWaalsContact O-CB 3.26Å; K172-E176 WeakPolarHBondContact O-CB 3.44Å; K172-E176 PolarHBondContact O-N 3.48Å |
| 173 | A | 86.4 | Confident | 80.7 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.6 | -31 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | V118 I139 F164 V169 Q171 L177 | V118-A173 HydrophobicContact CG2-CB 4.46Å; I139-A173 HydrophobicContact CD1-CB 4.07Å; I139-A173 HydrophobicContact CG2-CB 4.04Å; F164-A173 HydrophobicContact CD2-CB 4.48Å; F164-A173 HydrophobicContact CE1-CB 4.35Å; F164-A173 HydrophobicContact CE2-CB 3.54Å; F164-A173 HydrophobicContact CZ-CB 3.44Å; F164-A173 VanDerWaalsContact CZ-CB 3.44Å; V169-A173 WeakPolarHBondContact O-CB 3.5Å; V169-A173 PolarHBondContact O-N 3.02Å; Q171-A173 VanDerWaalsContact C-N 3.29Å; Q171-A173 PolarHBondContact O-N 3.46Å; A173-L177 WeakPolarHBondContact O-CB 3.46Å; A173-L177 VanDerWaalsContact O-CG 3.32Å; A173-L177 WeakPolarHBondContact O-CG 3.35Å; A173-L177 PolarHBondContact O-N 3.44Å |
| 174 | I | 85.8 | Confident | 79 | Confident | 27 Ų | 27 | 69.6 Ų | 69.6 | 14% | 0.138 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -71.2 | -49.6 | 171 | -67.5 | 159.5 | 0 | 0 | 0 | 110.2 | V118 A170 Q171 K172 E176 H178 C190 S191 L192 | V118-I174 HydrophobicContact CB-CG1 4.39Å; V118-I174 HydrophobicContact CG1-CD1 4.27Å; V118-I174 HydrophobicContact CG1-CG1 3.62Å; V118-I174 HydrophobicContact CG2-CD1 4.04Å; V118-I174 HydrophobicContact CG2-CG1 3.92Å; A170-I174 WeakPolarHBondContact O-CG1 3.35Å; A170-I174 PolarHBondContact O-N 3.18Å; A170-I174 VanDerWaalsContact O-N 3.16Å; Q171-I174 WeakPolarHBondContact O-CB 3.29Å; Q171-I174 PolarHBondContact O-N 3.06Å; K172-I174 VanDerWaalsContact C-N 3.25Å; K172-I174 PolarHBondContact O-N 3.26Å; I174-E176 PolarHBondContact O-N 2.89Å; I174-H178 WeakPolarHBondContact O-CB 3.24Å; I174-H178 PolarHBondContact O-N 2.8Å; I174-C190 HydrophobicContact CG1-CB 4.39Å; I174-S191 VanDerWaalsContact CD1-C 3.45Å; I174-L192 HydrophobicContact CD1-CB 4.15Å; I174-L192 HydrophobicContact CD1-CD2 3.5Å; I174-L192 VanDerWaalsContact CD1-CD2 3.5Å; I174-L192 HydrophobicContact CD1-CG 3.49Å; I174-L192 VanDerWaalsContact CD1-CG 3.49Å; I174-L192 VanDerWaalsContact CD1-N 3.26Å |
| 175 | E | 84.3 | Confident | 77.3 | Confident | 134 Ų | 134 | 75 Ų | 75 | 63% | 0.626 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -60 | -33.8 | -178.8 | -69.4 | 170.4 | -167.7 | 0 | 0 | 112.6 | Q171 K172 | Q171-E175 WeakPolarHBondContact CG-OE1 3.28Å; Q171-E175 PolarHBondContact NE2-OE1 3.35Å; Q171-E175 PolarHBondContact O-N 3.3Å; K172-E175 PolarHBondContact O-N 3.47Å; K172-E175 VanDerWaalsContact O-N 3.15Å |
| 176 | E | 83 | Confident | 76.1 | Confident | 75 Ų | 75 | 71.2 Ų | 71.2 | 35% | 0.35 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -93.8 | -28.6 | -175.6 | -170.4 | 173.8 | 170.9 | 0 | 0 | 114.5 | I139 K172 I174 | I139-E176 HydrophobicContact CD1-CB 4.16Å; I139-E176 HydrophobicContact CD1-CG 4.22Å; K172-E176 IonicContact NZ-OE2 3.09Å; K172-E176 PolarHBondContact NZ-OE2 2.79Å; K172-E176 VanDerWaalsContact O-CB 3.26Å; K172-E176 WeakPolarHBondContact O-CB 3.44Å; K172-E176 PolarHBondContact O-N 3.48Å; I174-E176 PolarHBondContact O-N 2.89Å |
| 177 | L | 79.8 | Confident | 75 | Confident | 1 Ų | 1 | 71.8 Ų | 71.8 | 1% | 0.005 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -100.9 | -14.9 | 178.6 | -58.2 | 178.1 | 0 | 0 | 0 | 113.9 | L135 C136 I139 A173 S179 K180 C190 | L135-L177 HydrophobicContact CD1-CD2 3.75Å; L135-L177 HydrophobicContact CD2-CD1 4.16Å; L135-L177 HydrophobicContact CD2-CD2 3.98Å; L135-L177 HydrophobicContact CG-CD1 4.17Å; L135-L177 HydrophobicContact CG-CD2 3.76Å; C136-L177 VanDerWaalsContact SG-CD1 3.59Å; I139-L177 HydrophobicContact CD1-CD1 3.69Å; I139-L177 HydrophobicContact CD1-CD2 3.72Å; I139-L177 HydrophobicContact CD1-CG 3.44Å; I139-L177 VanDerWaalsContact CD1-CG 3.44Å; A173-L177 WeakPolarHBondContact O-CB 3.46Å; A173-L177 VanDerWaalsContact O-CG 3.32Å; A173-L177 WeakPolarHBondContact O-CG 3.35Å; A173-L177 PolarHBondContact O-N 3.44Å; L177-S179 PolarHBondContact O-N 2.76Å; L177-K180 HydrophobicContact CD2-CD 3.81Å; L177-K180 PolarHBondContact O-N 3.26Å; L177-K180 VanDerWaalsContact O-N 3.16Å; L177-C190 HydrophobicContact CB-CB 4.33Å; L177-C190 WeakPolarHBondContact CB-SG 3.3Å |
| 178 | H | 74.5 | Confident | 74.1 | Confident | 96 Ų | 96 | 68.2 Ų | 68.2 | 44% | 0.444 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | 120.1 | 179.1 | -175.7 | 89.7 | 0 | 0 | 0 | 110.4 | I174 K180 C190 | I174-H178 WeakPolarHBondContact O-CB 3.24Å; I174-H178 PolarHBondContact O-N 2.8Å; H178-K180 VanDerWaalsContact C-N 3.26Å; H178-K180 PolarHBondContact O-N 2.98Å; H178-C190 HydrophobicContact CB-CB 4.22Å; H178-C190 PolarHBondContact ND1-O 3.16Å |
| 179 | S | 66.2 | Low | 73.6 | Confident | 72 Ų | 72 | 65.8 Ų | 65.8 | 50% | 0.503 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.2 | 8.2 | -173.3 | -52.8 | 0 | 0 | 0 | 0 | 116.2 | L177 A188 | L177-S179 PolarHBondContact O-N 2.76Å; S179-A188 PolarHBondContact N-O 3.23Å |
| 180 | K | 69.6 | Low | 73.1 | Confident | 84 Ų | 84 | 64.1 Ų | 64.1 | 37% | 0.365 | 35% | 0.345 | S | S | . | . | trans | -66.6 | 134 | 168.8 | -162.1 | 172.4 | -176 | 177.4 | 0 | 109 | E138 L177 H178 F182 A188 | E138-K180 IonicContact OE2-NZ 3.66Å; L177-K180 HydrophobicContact CD2-CD 3.81Å; L177-K180 PolarHBondContact O-N 3.26Å; L177-K180 VanDerWaalsContact O-N 3.16Å; H178-K180 VanDerWaalsContact C-N 3.26Å; H178-K180 PolarHBondContact O-N 2.98Å; K180-F182 PolarHBondContact O-N 2.66Å; K180-A188 PolarHBondContact O-N 3.34Å; K180-A188 VanDerWaalsContact O-N 3.07Å | ||
| 181 | E | 67.1 | Low | 72.5 | Confident | 160 Ų | 160 | 66.6 Ų | 66.6 | 75% | 0.748 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70 | 124 | 176.2 | -68.2 | -163 | 156.3 | 0 | 0 | 110.2 | ||
| 182 | F | 65.4 | Low | 72.1 | Confident | 27 Ų | 27 | 66.1 Ų | 66.1 | 12% | 0.118 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 122.1 | -179.9 | -166.1 | -124.4 | 0 | 0 | 0 | 110.6 | L123 V127 D131 L132 L135 K180 A184 S186 A188 | L123-F182 HydrophobicContact CD2-CD1 3.79Å; L123-F182 HydrophobicContact CD2-CE1 4.02Å; V127-F182 HydrophobicContact CB-CE1 4.27Å; V127-F182 HydrophobicContact CG1-CE1 3.83Å; V127-F182 HydrophobicContact CG2-CD1 3.95Å; V127-F182 HydrophobicContact CG2-CE1 3.39Å; V127-F182 HydrophobicContact CG2-CZ 4.28Å; D131-F182 HydrophobicContact CB-CZ 3.97Å; L132-F182 HydrophobicContact CD2-CE1 4.08Å; L132-F182 HydrophobicContact CD2-CZ 4.39Å; L135-F182 HydrophobicContact CB-CE2 4.38Å; L135-F182 HydrophobicContact CD2-CD2 3.86Å; L135-F182 HydrophobicContact CD2-CE2 3.7Å; L135-F182 HydrophobicContact CD2-CZ 4.19Å; L135-F182 HydrophobicContact CG-CE2 4.43Å; K180-F182 PolarHBondContact O-N 2.66Å; F182-A184 PolarHBondContact O-N 2.89Å; F182-S186 PolarHBondContact N-O 3.32Å; F182-A188 HydrophobicContact CB-CB 4.38Å |
| 183 | K | 59.6 | Low | 71.3 | Confident | 90 Ų | 90 | 61.9 Ų | 61.9 | 39% | 0.391 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 43.5 | 60.2 | -175 | -69 | -172.4 | 178.5 | 177.3 | 0 | 113.8 | P124 V127 D131 S185 | P124-K183 HydrophobicContact CG-CB 4.47Å; V127-K183 HydrophobicContact CG2-CD 3.98Å; D131-K183 WeakPolarHBondContact OD1-CE 3.14Å; D131-K183 IonicContact OD1-NZ 2.78Å; D131-K183 PolarHBondContact OD1-NZ 2.79Å; D131-K183 IonicContact OD2-NZ 3.14Å; D131-K183 PolarHBondContact OD2-NZ 2.93Å; K183-S185 PolarHBondContact O-N 2.88Å |
| 184 | A | 52.4 | Low | 70.5 | Confident | 101 Ų | 101 | 66 Ų | 66 | 84% | 0.835 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.7 | 3.6 | 157.9 | 0 | 0 | 0 | 0 | 0 | 119.5 | F182 | F182-A184 PolarHBondContact O-N 2.89Š|
| 185 | S | 55 | Low | 69.9 | Low | 115 Ų | 115 | 65.5 Ų | 65.5 | 80% | 0.804 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -155.8 | 10.2 | 174.9 | -172.4 | 0 | 0 | 0 | 0 | 114.6 | K183 | K183-S185 PolarHBondContact O-N 2.88Š|
| 186 | S | 60.7 | Low | 69.8 | Low | 34 Ų | 34 | 59.7 Ų | 59.7 | 24% | 0.238 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 130.6 | -175.6 | -109.3 | 0 | 0 | 0 | 0 | 111.2 | G122 F182 | G122-S186 WeakPolarHBondContact O-CB 3.47Å; G122-S186 PolarHBondContact O-OG 2.93Å; F182-S186 PolarHBondContact N-O 3.32Å |
| 187 | T | 64.7 | Low | 70.1 | Confident | 69 Ų | 69 | 58.1 Ų | 58.1 | 42% | 0.423 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 123.6 | 169.5 | 48.1 | 0 | 0 | 0 | 0 | 109.5 | N189 | T187-N189 PolarHBondContact O-N 3.41Å; T187-N189 PolarHBondContact O-ND2 3.16Å |
| 188 | A | 67.4 | Low | 70.7 | Confident | 3 Ų | 3 | 58 Ų | 58 | 3% | 0.025 | 33% | 0.329 | C | S | . | . | trans | -69.4 | 113.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | I120 S179 K180 F182 C190 | I120-A188 HydrophobicContact CG2-CB 4.27Å; S179-A188 PolarHBondContact N-O 3.23Å; K180-A188 PolarHBondContact O-N 3.34Å; K180-A188 VanDerWaalsContact O-N 3.07Å; F182-A188 HydrophobicContact CB-CB 4.38Å; A188-C190 PolarHBondContact O-N 3.23Å | ||
| 189 | N | 75.5 | Confident | 71.6 | Confident | 73 Ų | 73 | 56 Ų | 56 | 39% | 0.39 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 84.6 | 179.4 | -79.2 | -99 | 0 | 0 | 0 | 108.9 | G121 T187 | G121-N189 PolarHBondContact N-O 3.45Å; G121-N189 PolarHBondContact O-N 3.06Å; T187-N189 PolarHBondContact O-N 3.41Å; T187-N189 PolarHBondContact O-ND2 3.16Å |
| 190 | C | 78.5 | Confident | 72.8 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.007 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 136.9 | -179 | -59.1 | 0 | 0 | 0 | 0 | 111 | V118 F119 I174 L177 H178 A188 | V118-C190 HydrophobicContact CG1-CB 4.24Å; F119-C190 CarbonylContact O-C 3.51Å; F119-C190 VanDerWaalsContact O-CA 3.3Å; F119-C190 WeakPolarHBondContact O-CA 3.33Å; I174-C190 HydrophobicContact CG1-CB 4.39Å; L177-C190 HydrophobicContact CB-CB 4.33Å; L177-C190 WeakPolarHBondContact CB-SG 3.3Å; H178-C190 HydrophobicContact CB-CB 4.22Å; H178-C190 PolarHBondContact ND1-O 3.16Å; A188-C190 PolarHBondContact O-N 3.23Å |
| 191 | S | 74.7 | Confident | 73.9 | Confident | 52 Ų | 52 | 48.8 Ų | 48.8 | 36% | 0.364 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 159.5 | 176 | 56 | 0 | 0 | 0 | 0 | 111.2 | F119 I174 S193 | F119-S191 WeakPolarHBondContact CD1-OG 3.24Å; F119-S191 PolarHBondContact N-O 2.79Å; F119-S191 PolarHBondContact O-N 3.44Å; I174-S191 VanDerWaalsContact CD1-C 3.45Å; S191-S193 PolarHBondContact O-N 2.85Å |
| 192 | L | 76.6 | Confident | 75 | Confident | 78 Ų | 78 | 45 Ų | 45 | 41% | 0.408 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 130.8 | 175.3 | -75.2 | 173.1 | 0 | 0 | 0 | 109.5 | G115 I174 L194 | G115-L192 WeakPolarHBondContact O-CD2 3.42Å; I174-L192 HydrophobicContact CD1-CB 4.15Å; I174-L192 HydrophobicContact CD1-CD2 3.5Å; I174-L192 VanDerWaalsContact CD1-CD2 3.5Å; I174-L192 HydrophobicContact CD1-CG 3.49Å; I174-L192 VanDerWaalsContact CD1-CG 3.49Å; I174-L192 VanDerWaalsContact CD1-N 3.26Å; L192-L194 PolarHBondContact O-N 3.36Å |
| 193 | S | 70.6 | Confident | 76.1 | Confident | 7 Ų | 7 | 43.9 Ų | 43.9 | 5% | 0.049 | 26% | 0.26 | C | S | . | . | trans | -68.8 | 129 | 171.4 | 69.8 | 0 | 0 | 0 | 0 | 109.9 | E117 S191 S195 | E117-S193 WeakPolarHBondContact CB-OG 3.49Å; E117-S193 VanDerWaalsContact CG-OG 3.27Å; E117-S193 WeakPolarHBondContact CG-OG 3.46Å; E117-S193 VanDerWaalsContact O-CB 3.23Å; E117-S193 WeakPolarHBondContact O-CB 3.42Å; E117-S193 PolarHBondContact O-N 2.76Å; E117-S193 PolarHBondContact O-OG 3.32Å; E117-S193 PolarHBondContact OE2-OG 2.87Å; S191-S193 PolarHBondContact O-N 2.85Å; S193-S195 VanDerWaalsContact C-N 3.3Å; S193-S195 WeakPolarHBondContact CB-OG 3.37Å; S193-S195 PolarHBondContact OG-OG 2.67Å | ||
| 194 | L | 68.7 | Low | 77.5 | Confident | 88 Ų | 88 | 40 Ų | 40 | 46% | 0.461 | 24% | 0.243 | S | C | . | . | trans | -103.3 | 23.8 | 175.7 | -63.8 | 168.9 | 0 | 0 | 0 | 110.9 | L192 N196 P278 | L192-L194 PolarHBondContact O-N 3.36Å; L194-N196 PolarHBondContact O-N 2.92Å; L194-P278 HydrophobicContact CB-CG 4.46Å; L194-P278 HydrophobicContact CD1-CB 3.5Å; L194-P278 VanDerWaalsContact CD1-CB 3.5Å; L194-P278 HydrophobicContact CD1-CG 3.85Å | ||
| 195 | S | 73.8 | Confident | 79.1 | Confident | 16 Ų | 16 | 40.4 Ų | 40.4 | 11% | 0.112 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | 8.9 | -174.8 | 57.6 | 0 | 0 | 0 | 0 | 113.1 | E117 S193 N249 W275 | E117-S195 PolarHBondContact OE2-OG 3.31Å; S193-S195 VanDerWaalsContact C-N 3.3Å; S193-S195 WeakPolarHBondContact CB-OG 3.37Å; S193-S195 PolarHBondContact OG-OG 2.67Å; S195-N249 WeakPolarHBondContact CB-ND2 3.27Å; S195-N249 PolarHBondContact O-ND2 2.82Å; S195-W275 WeakPolarHBondContact O-CH2 3.37Å; S195-W275 WeakPolarHBondContact O-CZ3 3.14Å |
| 196 | N | 83.1 | Confident | 80.6 | Confident | 12 Ų | 12 | 39.6 Ų | 39.6 | 6% | 0.064 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | 2.2 | 176.3 | 74.9 | -49.5 | 0 | 0 | 0 | 113.5 | H114 L194 L245 Y246 | H114-N196 HydrophobicContact CB-CB 3.92Å; H114-N196 WeakPolarHBondContact CB-ND2 3.3Å; L194-N196 PolarHBondContact O-N 2.92Å; N196-L245 WeakPolarHBondContact ND2-CD1 3.27Å; N196-Y246 WeakPolarHBondContact CB-O 3.15Å; N196-Y246 PolarHBondContact ND2-O 2.99Å; N196-Y246 PolarHBondContact O-N 3.36Å |
| 197 | R | 89.3 | Confident | 81.8 | Confident | 41 Ų | 41 | 39.2 Ų | 39.2 | 16% | 0.155 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 124 | -179.5 | -166.9 | -175.2 | 176.8 | 114.3 | 9.2 | 111.4 | E227 F243 V244 L245 A276 | R197-E227 IonicContact CZ-OE2 3.91Å; R197-E227 IonicContact NH2-OE2 2.72Å; R197-E227 PolarHBondContact NH2-OE2 2.91Å; R197-F243 VanDerWaalsContact NH2-CG 3.26Å; R197-V244 CarbonylContact C-O 3.54Å; R197-V244 WeakPolarHBondContact CA-O 3.18Å; R197-L245 HydrophobicContact CB-CD1 4.06Å; R197-L245 HydrophobicContact CG-CD1 4.3Å; R197-A276 HydrophobicContact CB-CB 4Å; R197-A276 HydrophobicContact CG-CB 3.63Å; R197-A276 WeakPolarHBondContact O-CB 3.47Å; R197-A276 PolarHBondContact O-N 2.9Å |
| 198 | L | 91.3 | Very high | 82.9 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 145 | 172.6 | -60.8 | -175 | 0 | 0 | 0 | 111.5 | I200 F243 V244 Y246 A252 R256 V273 W275 | L198-I200 HydrophobicContact CB-CG1 4.29Å; L198-F243 CarbonylContact O-C 3.53Å; L198-F243 VanDerWaalsContact O-CA 3.25Å; L198-F243 WeakPolarHBondContact O-CA 3.19Å; L198-V244 PolarHBondContact N-O 3.27Å; L198-V244 PolarHBondContact O-N 3.22Å; L198-Y246 HydrophobicContact CB-CE2 4.49Å; L198-Y246 HydrophobicContact CD1-CD2 4.42Å; L198-Y246 HydrophobicContact CD1-CE2 3.62Å; L198-Y246 HydrophobicContact CG-CD2 4.31Å; L198-Y246 HydrophobicContact CG-CE2 3.9Å; L198-A252 HydrophobicContact CD2-CB 4.42Å; L198-A252 HydrophobicContact CG-CB 4.4Å; L198-R256 HydrophobicContact CD1-CB 3.91Å; L198-R256 HydrophobicContact CD2-CB 3.88Å; L198-R256 HydrophobicContact CD2-CG 4.35Å; L198-V273 HydrophobicContact CB-CG1 4.47Å; L198-V273 HydrophobicContact CD1-CG1 3.95Å; L198-V273 HydrophobicContact CD2-CG1 4.46Å; L198-W275 HydrophobicContact CD2-CD2 4.31Å; L198-W275 HydrophobicContact CD2-CE3 3.52Å; L198-W275 HydrophobicContact CD2-CH2 4.14Å; L198-W275 HydrophobicContact CD2-CZ3 3.39Å |
| 199 | F | 92.5 | Very high | 83.9 | Confident | 53 Ų | 53 | 42.1 Ų | 42.1 | 23% | 0.232 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 128.6 | 158.1 | 168.6 | -89.7 | 0 | 0 | 0 | 108 | F241 F243 V273 T274 A276 | F199-F241 HydrophobicContact CD2-CD2 4.14Å; F199-F241 HydrophobicContact CE2-CB 3.68Å; F199-F241 AromaticContact CE2-CD2 3.47Å; F199-F241 HydrophobicContact CE2-CD2 3.47Å; F199-F241 VanDerWaalsContact CE2-CD2 3.47Å; F199-F241 HydrophobicContact CE2-CE2 4.17Å; F199-F241 AromaticContact CE2-CG 3.68Å; F199-F241 HydrophobicContact CE2-CG 3.68Å; F199-F241 HydrophobicContact CZ-CB 3.78Å; F199-F241 HydrophobicContact CZ-CD2 4.36Å; F199-F241 HydrophobicContact CZ-CG 4.12Å; F199-F243 HydrophobicContact CB-CD1 4.22Å; F199-F243 HydrophobicContact CB-CE1 4.19Å; F199-F243 HydrophobicContact CD2-CD1 4.26Å; F199-F243 AromaticContact CD2-CE1 3.77Å; F199-F243 HydrophobicContact CD2-CE1 3.77Å; F199-F243 HydrophobicContact CD2-CZ 4.12Å; F199-F243 HydrophobicContact CG-CE1 4.48Å; F199-V273 WeakPolarHBondContact O-CA 3.47Å; F199-T274 PolarHBondContact N-O 2.91Å; F199-T274 PolarHBondContact O-N 2.93Å; F199-A276 HydrophobicContact CB-CB 4.3Å |
| 200 | I | 92.5 | Very high | 84.5 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 104.5 | 177.9 | -58.8 | 177.8 | 0 | 0 | 0 | 107.4 | L198 I203 F212 I216 F241 A242 V244 M259 P271 V273 | L198-I200 HydrophobicContact CB-CG1 4.29Å; I200-I203 HydrophobicContact CG2-CD1 4.19Å; I200-I203 HydrophobicContact CG2-CG1 4.1Å; I200-I203 WeakPolarHBondContact O-CD1 3.25Å; I200-F212 HydrophobicContact CB-CZ 4.05Å; I200-F212 HydrophobicContact CD1-CZ 3.92Å; I200-F212 HydrophobicContact CG2-CE2 4.04Å; I200-F212 HydrophobicContact CG2-CZ 3.88Å; I200-I216 HydrophobicContact CD1-CD1 3.57Å; I200-F241 CarbonylContact O-C 3.45Å; I200-F241 WeakPolarHBondContact O-CA 3.23Å; I200-F241 WeakPolarHBondContact O-CB 3.41Å; I200-A242 PolarHBondContact N-O 3.02Å; I200-A242 PolarHBondContact O-N 2.83Å; I200-V244 HydrophobicContact CD1-CB 4.43Å; I200-V244 HydrophobicContact CD1-CG2 3.76Å; I200-M259 HydrophobicContact CD1-CE 4.36Å; I200-M259 HydrophobicContact CD1-SD 3.59Å; I200-M259 VanDerWaalsContact CD1-SD 3.59Å; I200-M259 HydrophobicContact CG1-SD 4.46Å; I200-P271 HydrophobicContact CG2-CB 4.17Å; I200-V273 HydrophobicContact CG1-CG1 4.19Å; I200-V273 HydrophobicContact CG1-CG2 4.14Å; I200-V273 HydrophobicContact CG2-CG2 4.25Å |
| 201 | G | 91.6 | Very high | 85 | Confident | 4 Ų | 4 | 47.5 Ų | 47.5 | 4% | 0.041 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 173.5 | 176 | 0 | 0 | 0 | 0 | 0 | 113.3 | I203 G240 P271 T272 | G201-I203 VanDerWaalsContact C-N 3.28Å; G201-I203 PolarHBondContact O-N 3.25Å; G201-G240 CarbonylContact C-O 3.56Å; G201-P271 WeakPolarHBondContact O-CA 3.45Å; G201-T272 PolarHBondContact N-O 3.48Å; G201-T272 PolarHBondContact O-N 3.14Å |
| 202 | N | 90.2 | Very high | 85.8 | Confident | 80 Ų | 80 | 45 Ų | 45 | 43% | 0.428 | 23% | 0.228 | S | C | . | . | trans | 63.5 | 29.1 | -177.6 | -154.4 | 35.6 | 0 | 0 | 0 | 114.1 | G240 A270 | N202-G240 PolarHBondContact N-O 2.71Å; N202-A270 PolarHBondContact ND2-O 2.85Å | ||
| 203 | I | 90.3 | Very high | 86.5 | Confident | 4 Ų | 4 | 44.4 Ų | 44.4 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | trans | -69.7 | 137.8 | 174.1 | -56.3 | 177.1 | 0 | 0 | 0 | 109.3 | I200 G201 K205 W207 F212 L228 G240 A242 L266 | I200-I203 HydrophobicContact CG2-CD1 4.19Å; I200-I203 HydrophobicContact CG2-CG1 4.1Å; I200-I203 WeakPolarHBondContact O-CD1 3.25Å; G201-I203 VanDerWaalsContact C-N 3.28Å; G201-I203 PolarHBondContact O-N 3.25Å; I203-K205 PolarHBondContact O-N 2.92Å; I203-W207 HydrophobicContact CG2-CB 4.3Å; I203-W207 HydrophobicContact CG2-CE3 4.18Å; I203-F212 HydrophobicContact CD1-CD1 4.46Å; I203-F212 HydrophobicContact CD1-CD2 3.93Å; I203-F212 HydrophobicContact CD1-CE1 4.03Å; I203-F212 HydrophobicContact CD1-CE2 3.42Å; I203-F212 VanDerWaalsContact CD1-CE2 3.42Å; I203-F212 HydrophobicContact CD1-CG 4.43Å; I203-F212 HydrophobicContact CD1-CZ 3.47Å; I203-F212 VanDerWaalsContact CD1-CZ 3.47Å; I203-F212 HydrophobicContact CG1-CD2 4.39Å; I203-F212 HydrophobicContact CG1-CE2 3.89Å; I203-F212 HydrophobicContact CG1-CZ 4.35Å; I203-F212 HydrophobicContact CG2-CD2 4.11Å; I203-F212 HydrophobicContact CG2-CE2 4.45Å; I203-L228 HydrophobicContact CD1-CD1 3.97Å; I203-L228 HydrophobicContact CG2-CD1 4.46Å; I203-G240 PolarHBondContact N-O 3.11Å; I203-G240 WeakPolarHBondContact O-CA 3.19Å; I203-A242 HydrophobicContact CD1-CB 3.47Å; I203-A242 VanDerWaalsContact CD1-CB 3.47Å; I203-L266 HydrophobicContact CG1-CD1 4.18Å | ||
| 204 | P | 87.4 | Confident | 87.4 | Confident | 7 Ų | 7 | 51 Ų | 51 | 5% | 0.045 | 25% | 0.248 | C | C | . | . | trans | -57.6 | 130.2 | 175.3 | -24.1 | 34.4 | 0 | 0 | 0 | 112.1 | N206 W207 N238 L266 E267 | P204-N206 WeakPolarHBondContact CB-OD1 3.47Å; P204-N206 PolarHBondContact O-N 2.77Å; P204-N206 VanDerWaalsContact O-N 3.15Å; P204-W207 HydrophobicContact CB-CD2 4.36Å; P204-W207 HydrophobicContact CB-CG 4.02Å; P204-W207 HydrophobicContact CG-CD2 4.09Å; P204-W207 HydrophobicContact CG-CG 4.28Å; P204-W207 HydrophobicContact CG-CZ2 4.39Å; P204-W207 WeakPolarHBondContact O-CB 2.94Å; P204-W207 PolarHBondContact O-N 3.45Å; P204-N238 PolarHBondContact O-ND2 3.12Å; P204-L266 HydrophobicContact CG-CB 4.04Å; P204-E267 HydrophobicContact CG-CB 4Å; P204-E267 HydrophobicContact CG-CG 4.31Å | ||
| 205 | K | 86.9 | Confident | 88.5 | Confident | 111 Ų | 111 | 48.8 Ų | 48.8 | 48% | 0.483 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -14.5 | -171.4 | -66 | -166.4 | 177.1 | -165.8 | 0 | 115.3 | I203 R237 N238 | I203-K205 PolarHBondContact O-N 2.92Å; K205-R237 WeakPolarHBondContact O-CA 3.32Å; K205-N238 WeakPolarHBondContact CA-OD1 3.21Å; K205-N238 PolarHBondContact O-N 3.34Å |
| 206 | N | 86.3 | Confident | 89.3 | Confident | 98 Ų | 98 | 48.1 Ų | 48.1 | 52% | 0.524 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -22.9 | 172.7 | 48.3 | -42.4 | 0 | 0 | 0 | 113.1 | P204 E267 | P204-N206 WeakPolarHBondContact CB-OD1 3.47Å; P204-N206 PolarHBondContact O-N 2.77Å; P204-N206 VanDerWaalsContact O-N 3.15Å; N206-E267 PolarHBondContact ND2-OE1 3.42Å; N206-E267 PolarHBondContact ND2-OE2 3.05Å |
| 207 | W | 86.1 | Confident | 89.6 | Confident | 25 Ų | 25 | 51.8 Ų | 51.8 | 10% | 0.095 | 25% | 0.25 | C | S | . | . | trans | -70.8 | 133.1 | -174.1 | -76.7 | 14.9 | 0 | 0 | 0 | 113 | I203 P204 F212 V215 N238 L266 E267 | I203-W207 HydrophobicContact CG2-CB 4.3Å; I203-W207 HydrophobicContact CG2-CE3 4.18Å; P204-W207 HydrophobicContact CB-CD2 4.36Å; P204-W207 HydrophobicContact CB-CG 4.02Å; P204-W207 HydrophobicContact CG-CD2 4.09Å; P204-W207 HydrophobicContact CG-CG 4.28Å; P204-W207 HydrophobicContact CG-CZ2 4.39Å; P204-W207 WeakPolarHBondContact O-CB 2.94Å; P204-W207 PolarHBondContact O-N 3.45Å; W207-F212 HydrophobicContact CE3-CB 4.05Å; W207-F212 AromaticContact CE3-CD2 3.91Å; W207-F212 HydrophobicContact CE3-CD2 3.91Å; W207-F212 HydrophobicContact CE3-CG 4.48Å; W207-F212 HydrophobicContact CZ3-CD2 4.01Å; W207-V215 HydrophobicContact CH2-CB 4.29Å; W207-V215 HydrophobicContact CH2-CG1 4.22Å; W207-V215 HydrophobicContact CH2-CG2 3.8Å; W207-V215 HydrophobicContact CZ3-CB 4.17Å; W207-V215 HydrophobicContact CZ3-CG1 4.29Å; W207-V215 HydrophobicContact CZ3-CG2 4.05Å; W207-N238 PolarHBondContact O-ND2 2.9Å; W207-L266 HydrophobicContact CH2-CB 3.9Å; W207-L266 HydrophobicContact CH2-CD2 3.73Å; W207-L266 HydrophobicContact CH2-CG 4.32Å; W207-L266 HydrophobicContact CZ2-CB 4.37Å; W207-L266 HydrophobicContact CZ3-CB 4.21Å; W207-L266 HydrophobicContact CZ3-CD1 4.33Å; W207-L266 HydrophobicContact CZ3-CD2 3.78Å; W207-L266 HydrophobicContact CZ3-CG 4.32Å; W207-E267 HydrophobicContact CZ2-CG 3.89Å; W207-E267 PolarHBondContact NE1-OE1 3.16Å | ||
| 208 | T | 87.3 | Confident | 89.5 | Confident | 66 Ų | 66 | 54.6 Ų | 54.6 | 41% | 0.405 | 27% | 0.268 | S | S | . | . | trans | -77.8 | 168 | 167.1 | 59.5 | 0 | 0 | 0 | 0 | 111.5 | D210 E211 F212 | T208-D210 VanDerWaalsContact C-N 3.29Å; T208-D210 PolarHBondContact O-N 2.98Å; T208-E211 WeakPolarHBondContact CB-OE2 3.33Å; T208-E211 PolarHBondContact N-OE2 3.07Å; T208-E211 VanDerWaalsContact OG1-CD 3.24Å; T208-E211 VanDerWaalsContact OG1-CG 3.27Å; T208-E211 WeakPolarHBondContact OG1-CG 2.95Å; T208-E211 PolarHBondContact OG1-N 2.9Å; T208-E211 PolarHBondContact OG1-OE2 2.75Å; T208-F212 WeakPolarHBondContact O-CB 3.17Å; T208-F212 PolarHBondContact O-N 3.39Å; T208-F212 VanDerWaalsContact O-N 3.16Å | ||
| 209 | E | 87.9 | Confident | 89.4 | Confident | 67 Ų | 67 | 55 Ų | 55 | 31% | 0.313 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.7 | -39.1 | 173.6 | -167.2 | -170.9 | 132.6 | 0 | 0 | 111 | F212 R213 I226 L228 | E209-F212 PolarHBondContact O-N 3.4Å; E209-R213 WeakPolarHBondContact O-CB 3.45Å; E209-R213 PolarHBondContact O-N 3.06Å; E209-R213 IonicContact OE1-CZ 2.72Å; E209-R213 IonicContact OE1-NH2 2.63Å; E209-R213 PolarHBondContact OE1-NH2 3.05Å; E209-I226 HydrophobicContact CG-CG2 4.19Å; E209-L228 HydrophobicContact CB-CB 4.49Å; E209-L228 HydrophobicContact CB-CD2 4.27Å; E209-L228 HydrophobicContact CG-CB 4.37Å |
| 210 | D | 89.5 | Confident | 89 | Confident | 99 Ų | 99 | 52.5 Ų | 52.5 | 53% | 0.529 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -68.2 | -36.8 | -177.9 | -55.3 | -54.1 | 0 | 0 | 0 | 113.4 | T208 K214 | T208-D210 VanDerWaalsContact C-N 3.29Å; T208-D210 PolarHBondContact O-N 2.98Å; D210-K214 WeakPolarHBondContact O-CD 3.48Å; D210-K214 WeakPolarHBondContact O-CG 3.21Å; D210-K214 PolarHBondContact O-N 2.97Å |
| 211 | E | 89.4 | Confident | 88.9 | Confident | 89 Ų | 89 | 53.2 Ų | 53.2 | 42% | 0.416 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -68.6 | -46.4 | 173.9 | -71.9 | 161.7 | 140.3 | 0 | 0 | 110.9 | T208 V215 | T208-E211 WeakPolarHBondContact CB-OE2 3.33Å; T208-E211 PolarHBondContact N-OE2 3.07Å; T208-E211 VanDerWaalsContact OG1-CD 3.24Å; T208-E211 VanDerWaalsContact OG1-CG 3.27Å; T208-E211 WeakPolarHBondContact OG1-CG 2.95Å; T208-E211 PolarHBondContact OG1-N 2.9Å; T208-E211 PolarHBondContact OG1-OE2 2.75Å; E211-V215 PolarHBondContact O-N 3.48Å |
| 212 | F | 90.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.6 | -43.9 | 176.7 | -177.2 | -114.8 | 0 | 0 | 0 | 111.3 | I200 I203 W207 T208 E209 K214 V215 I216 I226 A242 V244 L266 | I200-F212 HydrophobicContact CB-CZ 4.05Å; I200-F212 HydrophobicContact CD1-CZ 3.92Å; I200-F212 HydrophobicContact CG2-CE2 4.04Å; I200-F212 HydrophobicContact CG2-CZ 3.88Å; I203-F212 HydrophobicContact CD1-CD1 4.46Å; I203-F212 HydrophobicContact CD1-CD2 3.93Å; I203-F212 HydrophobicContact CD1-CE1 4.03Å; I203-F212 HydrophobicContact CD1-CE2 3.42Å; I203-F212 VanDerWaalsContact CD1-CE2 3.42Å; I203-F212 HydrophobicContact CD1-CG 4.43Å; I203-F212 HydrophobicContact CD1-CZ 3.47Å; I203-F212 VanDerWaalsContact CD1-CZ 3.47Å; I203-F212 HydrophobicContact CG1-CD2 4.39Å; I203-F212 HydrophobicContact CG1-CE2 3.89Å; I203-F212 HydrophobicContact CG1-CZ 4.35Å; I203-F212 HydrophobicContact CG2-CD2 4.11Å; I203-F212 HydrophobicContact CG2-CE2 4.45Å; W207-F212 HydrophobicContact CE3-CB 4.05Å; W207-F212 AromaticContact CE3-CD2 3.91Å; W207-F212 HydrophobicContact CE3-CD2 3.91Å; W207-F212 HydrophobicContact CE3-CG 4.48Å; W207-F212 HydrophobicContact CZ3-CD2 4.01Å; T208-F212 WeakPolarHBondContact O-CB 3.17Å; T208-F212 PolarHBondContact O-N 3.39Å; T208-F212 VanDerWaalsContact O-N 3.16Å; E209-F212 PolarHBondContact O-N 3.4Å; F212-K214 PolarHBondContact O-N 2.91Å; F212-V215 PolarHBondContact O-N 3.33Å; F212-I216 HydrophobicContact CD1-CG1 4.12Å; F212-I216 HydrophobicContact CD2-CD1 4.42Å; F212-I216 HydrophobicContact CD2-CG1 4.06Å; F212-I216 HydrophobicContact CE1-CD1 4.29Å; F212-I216 HydrophobicContact CE1-CG1 3.77Å; F212-I216 HydrophobicContact CE2-CD1 3.67Å; F212-I216 HydrophobicContact CE2-CG1 3.71Å; F212-I216 HydrophobicContact CG-CG1 4.26Å; F212-I216 HydrophobicContact CZ-CD1 3.59Å; F212-I216 HydrophobicContact CZ-CG1 3.55Å; F212-I216 VanDerWaalsContact O-CG1 3.27Å; F212-I216 WeakPolarHBondContact O-CG1 3.42Å; F212-I216 PolarHBondContact O-N 2.93Å; F212-I226 HydrophobicContact CD1-CG2 3.69Å; F212-I226 HydrophobicContact CE1-CG2 3.89Å; F212-A242 HydrophobicContact CD1-CB 4.1Å; F212-A242 HydrophobicContact CE1-CB 3.39Å; F212-A242 HydrophobicContact CZ-CB 3.85Å; F212-V244 HydrophobicContact CE1-CG2 3.92Å; F212-V244 HydrophobicContact CZ-CG2 4.3Å; F212-L266 HydrophobicContact CE2-CD1 4.26Å |
| 213 | R | 91.4 | Very high | 88.7 | Confident | 64 Ų | 64 | 51.5 Ų | 51.5 | 24% | 0.242 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -52 | -54.8 | 176.5 | 176 | 177.8 | -65.5 | -80.9 | 0.3 | 112.4 | E209 V215 I216 E217 I226 | E209-R213 WeakPolarHBondContact O-CB 3.45Å; E209-R213 PolarHBondContact O-N 3.06Å; E209-R213 IonicContact OE1-CZ 2.72Å; E209-R213 IonicContact OE1-NH2 2.63Å; E209-R213 PolarHBondContact OE1-NH2 3.05Å; R213-V215 VanDerWaalsContact C-N 3.26Å; R213-V215 PolarHBondContact O-N 3Å; R213-I216 PolarHBondContact O-N 3.4Å; R213-I216 VanDerWaalsContact O-N 3.09Å; R213-E217 WeakPolarHBondContact CD-OE1 3.49Å; R213-E217 HydrophobicContact CG-CG 4.29Å; R213-E217 WeakPolarHBondContact CG-OE1 3.4Å; R213-E217 IonicContact NH1-OE1 3.76Å; R213-E217 PolarHBondContact NH1-OE1 3.35Å; R213-E217 WeakPolarHBondContact O-CB 3.3Å; R213-E217 WeakPolarHBondContact O-CG 3.4Å; R213-E217 PolarHBondContact O-N 2.85Å; R213-I226 HydrophobicContact CB-CD1 3.7Å; R213-I226 HydrophobicContact CG-CD1 3.82Å |
| 214 | K | 90.3 | Very high | 88.6 | Confident | 145 Ų | 145 | 55.1 Ų | 55.1 | 63% | 0.63 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -56.2 | -40.3 | 179.8 | -73.1 | 166.5 | -176.2 | 170.6 | 0 | 112.6 | D210 F212 D218 | D210-K214 WeakPolarHBondContact O-CD 3.48Å; D210-K214 WeakPolarHBondContact O-CG 3.21Å; D210-K214 PolarHBondContact O-N 2.97Å; F212-K214 PolarHBondContact O-N 2.91Å; K214-D218 WeakPolarHBondContact O-CB 3.45Å; K214-D218 PolarHBondContact O-N 3.35Å; K214-D218 VanDerWaalsContact O-N 3.1Å |
| 215 | V | 90.1 | Very high | 88.6 | Confident | 43 Ų | 43 | 59.2 Ų | 59.2 | 26% | 0.261 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -71.7 | -35.9 | 179.5 | 173.4 | 0 | 0 | 0 | 0 | 111.7 | W207 E211 F212 R213 V219 F264 L266 | W207-V215 HydrophobicContact CH2-CB 4.29Å; W207-V215 HydrophobicContact CH2-CG1 4.22Å; W207-V215 HydrophobicContact CH2-CG2 3.8Å; W207-V215 HydrophobicContact CZ3-CB 4.17Å; W207-V215 HydrophobicContact CZ3-CG1 4.29Å; W207-V215 HydrophobicContact CZ3-CG2 4.05Å; E211-V215 PolarHBondContact O-N 3.48Å; F212-V215 PolarHBondContact O-N 3.33Å; R213-V215 VanDerWaalsContact C-N 3.26Å; R213-V215 PolarHBondContact O-N 3Å; V215-V219 VanDerWaalsContact O-CG2 3.3Å; V215-V219 WeakPolarHBondContact O-CG2 3.2Å; V215-V219 PolarHBondContact O-N 3.1Å; V215-F264 HydrophobicContact CG1-CE2 4.12Å; V215-F264 HydrophobicContact CG1-CZ 3.75Å; V215-L266 HydrophobicContact CG1-CD2 3.79Å |
| 216 | I | 90.5 | Very high | 88.8 | Confident | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -73.7 | -39.5 | 178.3 | -64.7 | -62.7 | 0 | 0 | 0 | 111.5 | I200 F212 R213 V219 G220 V223 V244 Y246 M259 | I200-I216 HydrophobicContact CD1-CD1 3.57Å; F212-I216 HydrophobicContact CD1-CG1 4.12Å; F212-I216 HydrophobicContact CD2-CD1 4.42Å; F212-I216 HydrophobicContact CD2-CG1 4.06Å; F212-I216 HydrophobicContact CE1-CD1 4.29Å; F212-I216 HydrophobicContact CE1-CG1 3.77Å; F212-I216 HydrophobicContact CE2-CD1 3.67Å; F212-I216 HydrophobicContact CE2-CG1 3.71Å; F212-I216 HydrophobicContact CG-CG1 4.26Å; F212-I216 HydrophobicContact CZ-CD1 3.59Å; F212-I216 HydrophobicContact CZ-CG1 3.55Å; F212-I216 VanDerWaalsContact O-CG1 3.27Å; F212-I216 WeakPolarHBondContact O-CG1 3.42Å; F212-I216 PolarHBondContact O-N 2.93Å; R213-I216 PolarHBondContact O-N 3.4Å; R213-I216 VanDerWaalsContact O-N 3.09Å; I216-V219 PolarHBondContact O-N 2.87Å; I216-G220 PolarHBondContact O-N 2.88Å; I216-V223 HydrophobicContact CG2-CG1 4.46Å; I216-V223 HydrophobicContact CG2-CG2 3.84Å; I216-V244 HydrophobicContact CG2-CG1 4Å; I216-V244 HydrophobicContact CG2-CG2 4.25Å; I216-Y246 WeakPolarHBondContact CG2-OH 3.5Å; I216-M259 HydrophobicContact CD1-CE 3.35Å; I216-M259 HydrophobicContact CD1-SD 3.7Å; I216-M259 HydrophobicContact CG1-CE 4.49Å; I216-M259 HydrophobicContact CG2-CE 4.17Å |
| 217 | E | 89.8 | Confident | 89 | Confident | 90 Ų | 90 | 52.7 Ų | 52.7 | 42% | 0.421 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -68.8 | -31 | 176.3 | -70.9 | 168.6 | -178.2 | 0 | 0 | 112.6 | R213 V223 | R213-E217 WeakPolarHBondContact CD-OE1 3.49Å; R213-E217 HydrophobicContact CG-CG 4.29Å; R213-E217 WeakPolarHBondContact CG-OE1 3.4Å; R213-E217 IonicContact NH1-OE1 3.76Å; R213-E217 PolarHBondContact NH1-OE1 3.35Å; R213-E217 WeakPolarHBondContact O-CB 3.3Å; R213-E217 WeakPolarHBondContact O-CG 3.4Å; R213-E217 PolarHBondContact O-N 2.85Å; E217-V223 HydrophobicContact CG-CB 4.23Å; E217-V223 HydrophobicContact CG-CG2 4.15Å |
| 218 | D | 88.3 | Confident | 89.2 | Confident | 100 Ų | 100 | 52.2 Ų | 52.2 | 54% | 0.535 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -70.9 | -31.7 | 173.4 | -172.4 | 67.5 | 0 | 0 | 0 | 112.6 | K214 | K214-D218 WeakPolarHBondContact O-CB 3.45Å; K214-D218 PolarHBondContact O-N 3.35Å; K214-D218 VanDerWaalsContact O-N 3.1Å |
| 219 | V | 88.1 | Confident | 89.3 | Confident | 8 Ų | 8 | 51 Ų | 51 | 5% | 0.048 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -69.2 | -41.8 | 178.7 | 167.7 | 0 | 0 | 0 | 0 | 112.6 | Y105 V215 I216 K258 M259 F264 | Y105-V219 PolarHBondContact OH-O 3.49Å; V215-V219 VanDerWaalsContact O-CG2 3.3Å; V215-V219 WeakPolarHBondContact O-CG2 3.2Å; V215-V219 PolarHBondContact O-N 3.1Å; I216-V219 PolarHBondContact O-N 2.87Å; V219-K258 HydrophobicContact CG1-CB 3.63Å; V219-K258 HydrophobicContact CG1-CD 4.06Å; V219-K258 HydrophobicContact CG1-CG 4.5Å; V219-K258 WeakPolarHBondContact O-CD 3.48Å; V219-K258 PolarHBondContact O-NZ 3.03Å; V219-M259 HydrophobicContact CB-CE 3.81Å; V219-M259 HydrophobicContact CG1-CE 3.56Å; V219-M259 HydrophobicContact CG1-CG 3.96Å; V219-M259 HydrophobicContact CG2-CE 4.17Å; V219-M259 HydrophobicContact CG2-CG 4.41Å; V219-F264 HydrophobicContact CG2-CD2 3.96Å; V219-F264 HydrophobicContact CG2-CE2 3.22Å; V219-F264 HydrophobicContact CG2-CZ 3.59Å |
| 220 | G | 85.1 | Confident | 89.2 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | trans | -167.7 | 155.8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | I216 | I216-G220 PolarHBondContact O-N 2.88Š| ||
| 221 | P | 89.1 | Confident | 88.9 | Confident | 16 Ų | 16 | 50.3 Ų | 50.3 | 10% | 0.104 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -76.7 | 169.3 | -173.4 | 34.2 | -38.8 | 0 | 0 | 0 | 112.6 | Y105 L108 L109 C251 | Y105-P221 HydrophobicContact CD1-CG 3.82Å; Y105-P221 HydrophobicContact CD2-CB 4.27Å; Y105-P221 HydrophobicContact CD2-CG 4.3Å; Y105-P221 HydrophobicContact CE1-CG 4.47Å; Y105-P221 HydrophobicContact CG-CB 4.12Å; Y105-P221 HydrophobicContact CG-CG 3.74Å; L108-P221 HydrophobicContact CB-CG 4.49Å; L108-P221 HydrophobicContact CD1-CG 4.37Å; L109-P221 HydrophobicContact CD1-CB 3.98Å; L109-P221 HydrophobicContact CD2-CB 4.19Å; L109-P221 HydrophobicContact CG-CB 4.04Å; L109-P221 HydrophobicContact CG-CG 4.46Å; P221-C251 WeakPolarHBondContact O-CB 3.4Å |
| 222 | G | 86.6 | Confident | 88.6 | Confident | 21 Ų | 21 | 51.1 Ų | 51.1 | 22% | 0.216 | 26% | 0.262 | C | S | . | . | trans | 76.7 | 28.1 | 165.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | E224 Y246 Y247 | G222-E224 PolarHBondContact O-N 3.39Å; G222-Y246 CarbonylContact O-C 3.6Å; G222-Y246 WeakPolarHBondContact O-CA 3.43Å; G222-Y247 PolarHBondContact O-N 3.22Å | ||
| 223 | V | 91.8 | Very high | 88.1 | Confident | 28 Ų | 28 | 56.3 Ų | 56.3 | 17% | 0.17 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 118.2 | 172.5 | -177.1 | 0 | 0 | 0 | 0 | 109.6 | I216 E217 I226 V244 Y246 | I216-V223 HydrophobicContact CG2-CG1 4.46Å; I216-V223 HydrophobicContact CG2-CG2 3.84Å; E217-V223 HydrophobicContact CG-CB 4.23Å; E217-V223 HydrophobicContact CG-CG2 4.15Å; V223-I226 HydrophobicContact CG1-CD1 3.89Å; V223-I226 HydrophobicContact CG1-CG1 3.72Å; V223-V244 HydrophobicContact CG1-CG1 3.82Å; V223-Y246 HydrophobicContact CG2-CD1 4.18Å; V223-Y246 HydrophobicContact CG2-CE1 3.62Å |
| 224 | E | 87.6 | Confident | 87.5 | Confident | 80 Ų | 80 | 56.8 Ų | 56.8 | 37% | 0.374 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | -43.9 | 179.8 | -71.7 | -177.3 | 154.7 | 0 | 0 | 112.6 | H114 G222 L245 Y247 | H114-E224 IonicContact CE1-OE1 3.91Å; H114-E224 PolarHBondContact CE1-OE1 2.83Å; H114-E224 IonicContact CE1-OE2 3.27Å; H114-E224 PolarHBondContact CE1-OE2 3.31Å; H114-E224 IonicContact ND1-OE1 2.68Å; H114-E224 PolarHBondContact ND1-OE1 2.64Å; H114-E224 IonicContact ND1-OE2 3.39Å; H114-E224 PolarHBondContact ND1-OE2 2.87Å; H114-E224 VanDerWaalsContact ND1-OE2 3.09Å; G222-E224 PolarHBondContact O-N 3.39Å; E224-L245 HydrophobicContact CB-CD2 4.45Å; E224-L245 PolarHBondContact N-O 2.95Å; E224-Y247 WeakPolarHBondContact OE1-CA 3.46Å |
| 225 | N | 89 | Confident | 86.9 | Confident | 92 Ų | 92 | 55.1 Ų | 55.1 | 49% | 0.492 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 139.7 | -174.3 | -167.7 | -9.3 | 0 | 0 | 0 | 111.1 | V244 L245 | N225-V244 WeakPolarHBondContact O-CA 3.34Å; N225-L245 HydrophobicContact CB-CB 3.96Å; N225-L245 HydrophobicContact CB-CD2 4.32Å; N225-L245 PolarHBondContact N-O 2.83Å; N225-L245 PolarHBondContact O-N 2.87Å |
| 226 | I | 90.4 | Very high | 86.3 | Confident | 4 Ų | 4 | 58.8 Ų | 58.8 | 2% | 0.021 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 117.1 | 179.9 | -59.7 | -177.7 | 0 | 0 | 0 | 108.2 | E209 F212 R213 V223 V244 | E209-I226 HydrophobicContact CG-CG2 4.19Å; F212-I226 HydrophobicContact CD1-CG2 3.69Å; F212-I226 HydrophobicContact CE1-CG2 3.89Å; R213-I226 HydrophobicContact CB-CD1 3.7Å; R213-I226 HydrophobicContact CG-CD1 3.82Å; V223-I226 HydrophobicContact CG1-CD1 3.89Å; V223-I226 HydrophobicContact CG1-CG1 3.72Å; I226-V244 HydrophobicContact CG1-CG1 4.34Å; I226-V244 HydrophobicContact CG1-CG2 4.41Å |
| 227 | E | 89.7 | Confident | 85.9 | Confident | 69 Ų | 69 | 65.7 Ų | 65.7 | 32% | 0.322 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 82.6 | 179.6 | -164.2 | -166.1 | 147.5 | 0 | 0 | 109.4 | R197 I229 A242 F243 K279 | R197-E227 IonicContact CZ-OE2 3.91Å; R197-E227 IonicContact NH2-OE2 2.72Å; R197-E227 PolarHBondContact NH2-OE2 2.91Å; E227-I229 HydrophobicContact CG-CD1 3.91Å; E227-I229 PolarHBondContact O-N 3.42Å; E227-I229 VanDerWaalsContact OE1-CD1 3.26Å; E227-I229 WeakPolarHBondContact OE1-CD1 3.3Å; E227-A242 VanDerWaalsContact O-CA 3.3Å; E227-A242 WeakPolarHBondContact O-CA 3.37Å; E227-F243 HydrophobicContact CB-CB 4.31Å; E227-F243 PolarHBondContact N-O 2.9Å; E227-F243 PolarHBondContact O-N 3.43Å; E227-K279 IonicContact OE1-NZ 3.61Å; E227-K279 PolarHBondContact OE1-NZ 2.92Å; E227-K279 IonicContact OE2-NZ 4Å; E227-K279 PolarHBondContact OE2-NZ 2.87Å |
| 228 | L | 90.3 | Very high | 85.8 | Confident | 15 Ų | 15 | 61.6 Ų | 61.6 | 8% | 0.079 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 107.9 | 175.9 | -179 | 64.2 | 0 | 0 | 0 | 110.1 | I203 E209 K230 N238 A242 | I203-L228 HydrophobicContact CD1-CD1 3.97Å; I203-L228 HydrophobicContact CG2-CD1 4.46Å; E209-L228 HydrophobicContact CB-CB 4.49Å; E209-L228 HydrophobicContact CB-CD2 4.27Å; E209-L228 HydrophobicContact CG-CB 4.37Å; L228-K230 PolarHBondContact O-N 2.75Å; L228-N238 HydrophobicContact CD1-CB 3.79Å; L228-N238 HydrophobicContact CD2-CB 4.02Å; L228-N238 HydrophobicContact CG-CB 3.86Å; L228-A242 HydrophobicContact CB-CB 4.34Å; L228-A242 HydrophobicContact CD1-CB 3.87Å |
| 229 | I | 89.4 | Confident | 85.8 | Confident | 39 Ų | 39 | 63.2 Ų | 63.2 | 20% | 0.2 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 121.7 | -175.6 | -55.8 | -54.7 | 0 | 0 | 0 | 109.9 | E227 R239 F241 F243 | E227-I229 HydrophobicContact CG-CD1 3.91Å; E227-I229 PolarHBondContact O-N 3.42Å; E227-I229 VanDerWaalsContact OE1-CD1 3.26Å; E227-I229 WeakPolarHBondContact OE1-CD1 3.3Å; I229-R239 HydrophobicContact CB-CB 4.42Å; I229-R239 HydrophobicContact CG2-CB 4.13Å; I229-R239 VanDerWaalsContact O-CB 3.3Å; I229-R239 WeakPolarHBondContact O-CB 3.29Å; I229-R239 PolarHBondContact O-N 2.97Å; I229-F241 HydrophobicContact CB-CD2 4.29Å; I229-F241 HydrophobicContact CB-CE2 3.89Å; I229-F241 HydrophobicContact CB-CZ 4.07Å; I229-F241 HydrophobicContact CG1-CD2 3.94Å; I229-F241 HydrophobicContact CG1-CE2 3.45Å; I229-F241 VanDerWaalsContact CG1-CE2 3.45Å; I229-F241 HydrophobicContact CG1-CZ 4.04Å; I229-F241 HydrophobicContact CG2-CE2 4.32Å; I229-F241 HydrophobicContact CG2-CZ 4.04Å; I229-F241 PolarHBondContact N-O 3.47Å; I229-F243 HydrophobicContact CD1-CD2 4.42Å; I229-F243 HydrophobicContact CD1-CE2 4.45Å; I229-F243 HydrophobicContact CG1-CD2 4.36Å; I229-F243 HydrophobicContact CG1-CE2 4.24Å |
| 230 | K | 86.8 | Confident | 85.9 | Confident | 121 Ų | 121 | 63.4 Ų | 63.4 | 53% | 0.526 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 151.6 | 176.6 | -64.3 | 178.6 | -176.4 | 175.5 | 0 | 111.6 | L228 | L228-K230 PolarHBondContact O-N 2.75Å |
| 231 | D | 83.4 | Confident | 86.2 | Confident | 31 Ų | 31 | 65.5 Ų | 65.5 | 17% | 0.166 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 123.5 | 177 | -169.8 | -48.5 | 0 | 0 | 0 | 109.2 | T233 N234 T235 R237 | D231-T233 PolarHBondContact O-N 3.09Å; D231-T233 VanDerWaalsContact O-N 3.13Å; D231-T233 WeakPolarHBondContact OD1-CB 3.2Å; D231-T233 PolarHBondContact OD1-N 2.88Å; D231-T233 PolarHBondContact OD1-OG1 3.03Å; D231-N234 HydrophobicContact CB-CB 4.4Å; D231-N234 CarbonylContact O-C 3.2Å; D231-N234 PolarHBondContact O-N 3.23Å; D231-N234 VanDerWaalsContact O-N 3.07Å; D231-T235 PolarHBondContact O-N 3.2Å; D231-R237 PolarHBondContact N-O 2.57Å |
| 232 | P | 81.6 | Confident | 86.3 | Confident | 107 Ų | 107 | 64.8 Ų | 64.8 | 70% | 0.695 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -19.7 | -177.6 | 27.1 | -35.9 | 0 | 0 | 0 | 113.3 | ||
| 233 | T | 81.2 | Confident | 86.6 | Confident | 109 Ų | 109 | 65.2 Ų | 65.2 | 67% | 0.669 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -24.5 | 176.1 | 68.3 | 0 | 0 | 0 | 0 | 112.9 | D231 | D231-T233 PolarHBondContact O-N 3.09Å; D231-T233 VanDerWaalsContact O-N 3.13Å; D231-T233 WeakPolarHBondContact OD1-CB 3.2Å; D231-T233 PolarHBondContact OD1-N 2.88Å; D231-T233 PolarHBondContact OD1-OG1 3.03Å |
| 234 | N | 78.6 | Confident | 86.6 | Confident | 73 Ų | 73 | 63.9 Ų | 63.9 | 39% | 0.39 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 85 | -173.2 | -76.1 | -85.9 | 0 | 0 | 0 | 109.6 | D231 T236 R237 | D231-N234 HydrophobicContact CB-CB 4.4Å; D231-N234 CarbonylContact O-C 3.2Å; D231-N234 PolarHBondContact O-N 3.23Å; D231-N234 VanDerWaalsContact O-N 3.07Å; N234-T236 PolarHBondContact O-N 3.37Å; N234-R237 HydrophobicContact CB-CB 4.45Å; N234-R237 PolarHBondContact O-N 3.4Å; N234-R237 VanDerWaalsContact O-O 3.12Å |
| 235 | T | 78.2 | Confident | 86.7 | Confident | 111 Ų | 111 | 62.1 Ų | 62.1 | 68% | 0.681 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57 | -18.5 | -179.9 | -166.4 | 0 | 0 | 0 | 0 | 114.4 | D231 R237 | D231-T235 PolarHBondContact O-N 3.2Å; T235-R237 VanDerWaalsContact C-N 3.29Å; T235-R237 PolarHBondContact O-N 2.98Å |
| 236 | T | 77.5 | Confident | 86.8 | Confident | 120 Ų | 120 | 57.8 Ų | 57.8 | 74% | 0.736 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77 | -7.5 | 173.7 | 53.4 | 0 | 0 | 0 | 0 | 114.4 | N234 | N234-T236 PolarHBondContact O-N 3.37Å |
| 237 | R | 81.7 | Confident | 86.7 | Confident | 146 Ų | 146 | 61.1 Ų | 61.1 | 55% | 0.551 | 31% | 0.31 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 145 | 178.5 | -70.1 | -178.2 | 174.5 | 168.8 | -1 | 110.3 | K205 D231 N234 T235 | K205-R237 WeakPolarHBondContact O-CA 3.32Å; D231-R237 PolarHBondContact N-O 2.57Å; N234-R237 HydrophobicContact CB-CB 4.45Å; N234-R237 PolarHBondContact O-N 3.4Å; N234-R237 VanDerWaalsContact O-O 3.12Å; T235-R237 VanDerWaalsContact C-N 3.29Å; T235-R237 PolarHBondContact O-N 2.98Å |
| 238 | N | 87.3 | Confident | 86.5 | Confident | 4 Ų | 4 | 58.1 Ų | 58.1 | 2% | 0.021 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 158.1 | 166.7 | 74.9 | 52.5 | 0 | 0 | 0 | 110.7 | P204 K205 W207 L228 G240 | P204-N238 PolarHBondContact O-ND2 3.12Å; K205-N238 WeakPolarHBondContact CA-OD1 3.21Å; K205-N238 PolarHBondContact O-N 3.34Å; W207-N238 PolarHBondContact O-ND2 2.9Å; L228-N238 HydrophobicContact CD1-CB 3.79Å; L228-N238 HydrophobicContact CD2-CB 4.02Å; L228-N238 HydrophobicContact CG-CB 3.86Å; N238-G240 PolarHBondContact O-N 3.45Å; N238-G240 VanDerWaalsContact OD1-CA 3.26Å; N238-G240 WeakPolarHBondContact OD1-CA 2.85Å; N238-G240 PolarHBondContact OD1-N 3.04Å |
| 239 | R | 88.7 | Confident | 86.3 | Confident | 134 Ų | 134 | 58.1 Ų | 58.1 | 51% | 0.506 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | -3.6 | 179.4 | -167.6 | 169.2 | 168.2 | 157 | -4.2 | 112.5 | I229 F241 | I229-R239 HydrophobicContact CB-CB 4.42Å; I229-R239 HydrophobicContact CG2-CB 4.13Å; I229-R239 VanDerWaalsContact O-CB 3.3Å; I229-R239 WeakPolarHBondContact O-CB 3.29Å; I229-R239 PolarHBondContact O-N 2.97Å; R239-F241 HydrophobicContact CB-CD1 4.26Å; R239-F241 HydrophobicContact CB-CE1 4.07Å; R239-F241 VanDerWaalsContact CD-CE1 3.49Å; R239-F241 HydrophobicContact CG-CD1 4.12Å; R239-F241 HydrophobicContact CG-CE1 3.63Å |
| 240 | G | 88.9 | Confident | 86.2 | Confident | 11 Ų | 11 | 57.5 Ų | 57.5 | 11% | 0.113 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 90.5 | 13 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | G201 N202 I203 N238 | G201-G240 CarbonylContact C-O 3.56Å; N202-G240 PolarHBondContact N-O 2.71Å; I203-G240 PolarHBondContact N-O 3.11Å; I203-G240 WeakPolarHBondContact O-CA 3.19Å; N238-G240 PolarHBondContact O-N 3.45Å; N238-G240 VanDerWaalsContact OD1-CA 3.26Å; N238-G240 WeakPolarHBondContact OD1-CA 2.85Å; N238-G240 PolarHBondContact OD1-N 3.04Å |
| 241 | F | 92.1 | Very high | 86.4 | Confident | 45 Ų | 45 | 51.8 Ų | 51.8 | 20% | 0.197 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 155.7 | 173.7 | 69.5 | -91.9 | 0 | 0 | 0 | 113.1 | F199 I200 I229 R239 F243 | F199-F241 HydrophobicContact CD2-CD2 4.14Å; F199-F241 HydrophobicContact CE2-CB 3.68Å; F199-F241 AromaticContact CE2-CD2 3.47Å; F199-F241 HydrophobicContact CE2-CD2 3.47Å; F199-F241 VanDerWaalsContact CE2-CD2 3.47Å; F199-F241 HydrophobicContact CE2-CE2 4.17Å; F199-F241 AromaticContact CE2-CG 3.68Å; F199-F241 HydrophobicContact CE2-CG 3.68Å; F199-F241 HydrophobicContact CZ-CB 3.78Å; F199-F241 HydrophobicContact CZ-CD2 4.36Å; F199-F241 HydrophobicContact CZ-CG 4.12Å; I200-F241 CarbonylContact O-C 3.45Å; I200-F241 WeakPolarHBondContact O-CA 3.23Å; I200-F241 WeakPolarHBondContact O-CB 3.41Å; I229-F241 HydrophobicContact CB-CD2 4.29Å; I229-F241 HydrophobicContact CB-CE2 3.89Å; I229-F241 HydrophobicContact CB-CZ 4.07Å; I229-F241 HydrophobicContact CG1-CD2 3.94Å; I229-F241 HydrophobicContact CG1-CE2 3.45Å; I229-F241 VanDerWaalsContact CG1-CE2 3.45Å; I229-F241 HydrophobicContact CG1-CZ 4.04Å; I229-F241 HydrophobicContact CG2-CE2 4.32Å; I229-F241 HydrophobicContact CG2-CZ 4.04Å; I229-F241 PolarHBondContact N-O 3.47Å; R239-F241 HydrophobicContact CB-CD1 4.26Å; R239-F241 HydrophobicContact CB-CE1 4.07Å; R239-F241 VanDerWaalsContact CD-CE1 3.49Å; R239-F241 HydrophobicContact CG-CD1 4.12Å; R239-F241 HydrophobicContact CG-CE1 3.63Å; F241-F243 HydrophobicContact CD2-CE2 4.31Å; F241-F243 AromaticContact CE2-CE2 3.91Å; F241-F243 HydrophobicContact CE2-CE2 3.91Å; F241-F243 HydrophobicContact CE2-CZ 4.3Å |
| 242 | A | 92.3 | Very high | 86.8 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 164.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | I200 I203 F212 E227 L228 | I200-A242 PolarHBondContact N-O 3.02Å; I200-A242 PolarHBondContact O-N 2.83Å; I203-A242 HydrophobicContact CD1-CB 3.47Å; I203-A242 VanDerWaalsContact CD1-CB 3.47Å; F212-A242 HydrophobicContact CD1-CB 4.1Å; F212-A242 HydrophobicContact CE1-CB 3.39Å; F212-A242 HydrophobicContact CZ-CB 3.85Å; E227-A242 VanDerWaalsContact O-CA 3.3Å; E227-A242 WeakPolarHBondContact O-CA 3.37Å; L228-A242 HydrophobicContact CB-CB 4.34Å; L228-A242 HydrophobicContact CD1-CB 3.87Å |
| 243 | F | 92.4 | Very high | 87.2 | Confident | 31 Ų | 31 | 46.7 Ų | 46.7 | 14% | 0.136 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 140.7 | 161 | -59.6 | -85.9 | 0 | 0 | 0 | 109.8 | R197 L198 F199 E227 I229 F241 A276 | R197-F243 VanDerWaalsContact NH2-CG 3.26Å; L198-F243 CarbonylContact O-C 3.53Å; L198-F243 VanDerWaalsContact O-CA 3.25Å; L198-F243 WeakPolarHBondContact O-CA 3.19Å; F199-F243 HydrophobicContact CB-CD1 4.22Å; F199-F243 HydrophobicContact CB-CE1 4.19Å; F199-F243 HydrophobicContact CD2-CD1 4.26Å; F199-F243 AromaticContact CD2-CE1 3.77Å; F199-F243 HydrophobicContact CD2-CE1 3.77Å; F199-F243 HydrophobicContact CD2-CZ 4.12Å; F199-F243 HydrophobicContact CG-CE1 4.48Å; E227-F243 HydrophobicContact CB-CB 4.31Å; E227-F243 PolarHBondContact N-O 2.9Å; E227-F243 PolarHBondContact O-N 3.43Å; I229-F243 HydrophobicContact CD1-CD2 4.42Å; I229-F243 HydrophobicContact CD1-CE2 4.45Å; I229-F243 HydrophobicContact CG1-CD2 4.36Å; I229-F243 HydrophobicContact CG1-CE2 4.24Å; F241-F243 HydrophobicContact CD2-CE2 4.31Å; F241-F243 AromaticContact CE2-CE2 3.91Å; F241-F243 HydrophobicContact CE2-CE2 3.91Å; F241-F243 HydrophobicContact CE2-CZ 4.3Å; F243-A276 HydrophobicContact CD1-CB 3.77Å; F243-A276 HydrophobicContact CE1-CB 4.07Å |
| 244 | V | 92.2 | Very high | 87.6 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 125.4 | 175.5 | -176.7 | 0 | 0 | 0 | 0 | 108.7 | R197 L198 I200 F212 I216 V223 N225 I226 Y246 | R197-V244 CarbonylContact C-O 3.54Å; R197-V244 WeakPolarHBondContact CA-O 3.18Å; L198-V244 PolarHBondContact N-O 3.27Å; L198-V244 PolarHBondContact O-N 3.22Å; I200-V244 HydrophobicContact CD1-CB 4.43Å; I200-V244 HydrophobicContact CD1-CG2 3.76Å; F212-V244 HydrophobicContact CE1-CG2 3.92Å; F212-V244 HydrophobicContact CZ-CG2 4.3Å; I216-V244 HydrophobicContact CG2-CG1 4Å; I216-V244 HydrophobicContact CG2-CG2 4.25Å; V223-V244 HydrophobicContact CG1-CG1 3.82Å; N225-V244 WeakPolarHBondContact O-CA 3.34Å; I226-V244 HydrophobicContact CG1-CG1 4.34Å; I226-V244 HydrophobicContact CG1-CG2 4.41Å; V244-Y246 HydrophobicContact CB-CE2 3.87Å; V244-Y246 HydrophobicContact CG1-CD2 3.94Å; V244-Y246 HydrophobicContact CG1-CE2 3.36Å |
| 245 | L | 90 | Very high | 88.2 | Confident | 43 Ų | 43 | 39.9 Ų | 39.9 | 23% | 0.225 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 130.4 | 171.9 | -166.7 | 72.8 | 0 | 0 | 0 | 108.7 | N196 R197 E224 N225 | N196-L245 WeakPolarHBondContact ND2-CD1 3.27Å; R197-L245 HydrophobicContact CB-CD1 4.06Å; R197-L245 HydrophobicContact CG-CD1 4.3Å; E224-L245 HydrophobicContact CB-CD2 4.45Å; E224-L245 PolarHBondContact N-O 2.95Å; N225-L245 HydrophobicContact CB-CB 3.96Å; N225-L245 HydrophobicContact CB-CD2 4.32Å; N225-L245 PolarHBondContact N-O 2.83Å; N225-L245 PolarHBondContact O-N 2.87Å |
| 246 | Y | 90.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 156.6 | 174.7 | -69.9 | -96.8 | 0 | 0 | 0 | 111.6 | N196 L198 I216 G222 V223 V244 N248 C251 A252 S255 | N196-Y246 WeakPolarHBondContact CB-O 3.15Å; N196-Y246 PolarHBondContact ND2-O 2.99Å; N196-Y246 PolarHBondContact O-N 3.36Å; L198-Y246 HydrophobicContact CB-CE2 4.49Å; L198-Y246 HydrophobicContact CD1-CD2 4.42Å; L198-Y246 HydrophobicContact CD1-CE2 3.62Å; L198-Y246 HydrophobicContact CG-CD2 4.31Å; L198-Y246 HydrophobicContact CG-CE2 3.9Å; I216-Y246 WeakPolarHBondContact CG2-OH 3.5Å; G222-Y246 CarbonylContact O-C 3.6Å; G222-Y246 WeakPolarHBondContact O-CA 3.43Å; V223-Y246 HydrophobicContact CG2-CD1 4.18Å; V223-Y246 HydrophobicContact CG2-CE1 3.62Å; V244-Y246 HydrophobicContact CB-CE2 3.87Å; V244-Y246 HydrophobicContact CG1-CD2 3.94Å; V244-Y246 HydrophobicContact CG1-CE2 3.36Å; Y246-N248 PolarHBondContact O-N 3.39Å; Y246-C251 HydrophobicContact CD1-CB 3.96Å; Y246-C251 HydrophobicContact CG-CB 4.43Å; Y246-A252 HydrophobicContact CD2-CB 3.71Å; Y246-A252 HydrophobicContact CE2-CB 4.49Å; Y246-A252 HydrophobicContact CG-CB 3.92Å; Y246-S255 WeakPolarHBondContact CE1-OG 3.4Å; Y246-S255 VanDerWaalsContact CZ-CB 3.5Å; Y246-S255 WeakPolarHBondContact OH-CB 3.32Å; Y246-S255 PolarHBondContact OH-OG 2.92Å |
| 247 | Y | 87.2 | Confident | 89.6 | Confident | 75 Ų | 75 | 37.6 Ų | 37.6 | 29% | 0.294 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -51.6 | -39.4 | 176.7 | 179.5 | -107.6 | 0 | 0 | 0 | 112.8 | L109 P113 H114 G222 E224 | L109-Y247 HydrophobicContact CD2-CD1 4.43Å; P113-Y247 CarbonylContact C-O 3.56Å; P113-Y247 HydrophobicContact CB-CD2 4.46Å; P113-Y247 HydrophobicContact CB-CE1 4.38Å; P113-Y247 HydrophobicContact CB-CE2 3.76Å; H114-Y247 VanDerWaalsContact CB-O 3.32Å; H114-Y247 WeakPolarHBondContact CB-O 3.41Å; H114-Y247 PolarHBondContact N-O 3.09Å; H114-Y247 PolarHBondContact ND1-O 3.2Å; G222-Y247 PolarHBondContact O-N 3.22Å; E224-Y247 WeakPolarHBondContact OE1-CA 3.46Å |
| 248 | N | 86 | Confident | 89.9 | Confident | 5 Ų | 5 | 33.8 Ų | 33.8 | 3% | 0.027 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -151.9 | 171 | 176 | 60.9 | 32.1 | 0 | 0 | 0 | 111.8 | L108 L111 P112 Y246 A250 C251 A252 | L108-N248 PolarHBondContact O-ND2 3.45Å; L111-N248 PolarHBondContact O-ND2 3.26Å; P112-N248 VanDerWaalsContact O-CB 3.23Å; P112-N248 WeakPolarHBondContact O-CB 3.18Å; Y246-N248 PolarHBondContact O-N 3.39Å; N248-A250 VanDerWaalsContact C-N 3.27Å; N248-A250 PolarHBondContact O-N 3.27Å; N248-A250 PolarHBondContact OD1-N 3.2Å; N248-C251 WeakPolarHBondContact OD1-CB 3.39Å; N248-C251 PolarHBondContact OD1-N 3.34Å; N248-C251 PolarHBondContact OD1-SG 3Å; N248-A252 PolarHBondContact O-N 3.08Å |
| 249 | N | 87.1 | Confident | 90 | Very high | 15 Ų | 15 | 33.7 Ų | 33.7 | 8% | 0.08 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.4 | -35.5 | 178.7 | 171.2 | -114.7 | 0 | 0 | 0 | 112.7 | E117 R146 S195 A252 D253 W275 | E117-N249 WeakPolarHBondContact OE2-CB 3.19Å; R146-N249 VanDerWaalsContact CZ-OD1 3.27Å; R146-N249 PolarHBondContact NH1-OD1 3.02Å; R146-N249 PolarHBondContact NH2-OD1 3.23Å; S195-N249 WeakPolarHBondContact CB-ND2 3.27Å; S195-N249 PolarHBondContact O-ND2 2.82Å; N249-A252 CarbonylContact O-C 3.53Å; N249-A252 WeakPolarHBondContact O-CB 3.24Å; N249-A252 PolarHBondContact O-N 3.46Å; N249-D253 PolarHBondContact O-N 2.87Å; N249-W275 VanDerWaalsContact ND2-CH2 3.29Å; N249-W275 WeakPolarHBondContact ND2-CH2 3.3Å |
| 250 | A | 87.1 | Confident | 90 | Very high | 27 Ų | 27 | 31.4 Ų | 31.4 | 22% | 0.223 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -68.3 | -44 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L108 L111 N248 A252 D253 Y254 | L108-A250 HydrophobicContact CD2-CB 3.61Å; L111-A250 HydrophobicContact CD1-CB 3.28Å; N248-A250 VanDerWaalsContact C-N 3.27Å; N248-A250 PolarHBondContact O-N 3.27Å; N248-A250 PolarHBondContact OD1-N 3.2Å; A250-A252 VanDerWaalsContact C-N 3.28Å; A250-A252 PolarHBondContact O-N 3.18Å; A250-D253 PolarHBondContact O-N 3.17Å; A250-Y254 VanDerWaalsContact O-CB 3.28Å; A250-Y254 WeakPolarHBondContact O-CB 3.45Å; A250-Y254 PolarHBondContact O-N 3.2Å |
| 251 | C | 90.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.9 | -40.5 | 171.3 | -67.7 | 0 | 0 | 0 | 0 | 111.3 | P221 Y246 N248 S255 | P221-C251 WeakPolarHBondContact O-CB 3.4Å; Y246-C251 HydrophobicContact CD1-CB 3.96Å; Y246-C251 HydrophobicContact CG-CB 4.43Å; N248-C251 WeakPolarHBondContact OD1-CB 3.39Å; N248-C251 PolarHBondContact OD1-N 3.34Å; N248-C251 PolarHBondContact OD1-SG 3Å; C251-S255 VanDerWaalsContact O-CB 3.29Å; C251-S255 WeakPolarHBondContact O-CB 3.11Å; C251-S255 PolarHBondContact O-N 3.05Å; C251-S255 PolarHBondContact O-OG 2.83Å |
| 252 | A | 91.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.3 | -45.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L198 Y246 N248 N249 A250 S255 R256 W275 | L198-A252 HydrophobicContact CD2-CB 4.42Å; L198-A252 HydrophobicContact CG-CB 4.4Å; Y246-A252 HydrophobicContact CD2-CB 3.71Å; Y246-A252 HydrophobicContact CE2-CB 4.49Å; Y246-A252 HydrophobicContact CG-CB 3.92Å; N248-A252 PolarHBondContact O-N 3.08Å; N249-A252 CarbonylContact O-C 3.53Å; N249-A252 WeakPolarHBondContact O-CB 3.24Å; N249-A252 PolarHBondContact O-N 3.46Å; A250-A252 VanDerWaalsContact C-N 3.28Å; A250-A252 PolarHBondContact O-N 3.18Å; A252-S255 PolarHBondContact O-N 2.82Å; A252-R256 WeakPolarHBondContact O-CB 3Å; A252-R256 PolarHBondContact O-N 3.37Å; A252-W275 HydrophobicContact CB-CH2 3.96Å; A252-W275 HydrophobicContact CB-CZ3 3.67Å |
| 253 | D | 90.3 | Very high | 88.8 | Confident | 32 Ų | 32 | 43.8 Ų | 43.8 | 17% | 0.171 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -72.7 | -37.1 | -178.6 | -163.1 | 54.9 | 0 | 0 | 0 | 111.8 | N249 A250 S255 R256 Q257 W275 | N249-D253 PolarHBondContact O-N 2.87Å; A250-D253 PolarHBondContact O-N 3.17Å; D253-S255 PolarHBondContact O-N 3.36Å; D253-R256 WeakPolarHBondContact O-CB 3.25Å; D253-R256 PolarHBondContact O-N 3.13Å; D253-R256 IonicContact OD1-CZ 3.02Å; D253-R256 IonicContact OD1-NH1 3.16Å; D253-R256 PolarHBondContact OD1-NH1 3.19Å; D253-Q257 WeakPolarHBondContact O-CB 3.15Å; D253-Q257 VanDerWaalsContact O-CG 3.24Å; D253-Q257 WeakPolarHBondContact O-CG 3.34Å; D253-Q257 PolarHBondContact O-N 2.95Å; D253-Q257 PolarHBondContact OD2-NE2 3.24Å; D253-W275 HydrophobicContact CB-CH2 3.78Å; D253-W275 HydrophobicContact CB-CZ2 3.89Å; D253-W275 VanDerWaalsContact OD1-CZ2 3.29Å; D253-W275 WeakPolarHBondContact OD1-CZ2 3.27Å |
| 254 | Y | 90.3 | Very high | 88.4 | Confident | 38 Ų | 38 | 44.3 Ų | 44.3 | 15% | 0.149 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -56.7 | -50.1 | 171.3 | 180 | -90.4 | 0 | 0 | 0 | 111.3 | D101 Y105 L108 A250 R256 Q257 K258 | D101-Y254 VanDerWaalsContact CG-OH 3.26Å; D101-Y254 PolarHBondContact OD1-OH 2.67Å; D101-Y254 PolarHBondContact OD2-OH 3.07Å; Y105-Y254 HydrophobicContact CD1-CE1 4.31Å; Y105-Y254 HydrophobicContact CE1-CD1 4.48Å; Y105-Y254 AromaticContact CE1-CE1 3.53Å; Y105-Y254 HydrophobicContact CE1-CE1 3.53Å; Y105-Y254 AromaticContact CE1-CZ 3.69Å; Y105-Y254 WeakPolarHBondContact CE1-OH 3.37Å; L108-Y254 HydrophobicContact CD1-CD1 4.08Å; L108-Y254 HydrophobicContact CD1-CD2 3.73Å; L108-Y254 HydrophobicContact CD1-CE2 4.36Å; L108-Y254 HydrophobicContact CD1-CG 3.57Å; A250-Y254 VanDerWaalsContact O-CB 3.28Å; A250-Y254 WeakPolarHBondContact O-CB 3.45Å; A250-Y254 PolarHBondContact O-N 3.2Å; Y254-R256 PolarHBondContact O-N 3.25Å; Y254-Q257 PolarHBondContact O-N 3.23Å; Y254-K258 HydrophobicContact CD1-CD 4.49Å; Y254-K258 HydrophobicContact CE1-CD 3.66Å; Y254-K258 HydrophobicContact CE1-CG 4.41Å; Y254-K258 PolarHBondContact O-N 2.85Å; Y254-K258 WeakPolarHBondContact OH-CE 3.48Å; Y254-K258 PolarHBondContact OH-NZ 3.43Å |
| 255 | S | 91.8 | Very high | 88 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64 | -41.1 | 178.4 | -57.8 | 0 | 0 | 0 | 0 | 111.6 | Y246 C251 A252 D253 K258 M259 | Y246-S255 WeakPolarHBondContact CE1-OG 3.4Å; Y246-S255 VanDerWaalsContact CZ-CB 3.5Å; Y246-S255 WeakPolarHBondContact OH-CB 3.32Å; Y246-S255 PolarHBondContact OH-OG 2.92Å; C251-S255 VanDerWaalsContact O-CB 3.29Å; C251-S255 WeakPolarHBondContact O-CB 3.11Å; C251-S255 PolarHBondContact O-N 3.05Å; C251-S255 PolarHBondContact O-OG 2.83Å; A252-S255 PolarHBondContact O-N 2.82Å; D253-S255 PolarHBondContact O-N 3.36Å; S255-K258 PolarHBondContact O-N 3.16Å; S255-M259 WeakPolarHBondContact O-CB 3.01Å; S255-M259 WeakPolarHBondContact O-CG 3.48Å; S255-M259 PolarHBondContact O-N 3.4Å |
| 256 | R | 92.3 | Very high | 87.7 | Confident | 66 Ų | 66 | 48.1 Ų | 48.1 | 25% | 0.249 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.5 | -44.1 | 173.3 | 172.2 | 178.2 | 167.4 | -84.5 | -14.2 | 112.3 | L198 A252 D253 Y254 M259 I260 V273 | L198-R256 HydrophobicContact CD1-CB 3.91Å; L198-R256 HydrophobicContact CD2-CB 3.88Å; L198-R256 HydrophobicContact CD2-CG 4.35Å; A252-R256 WeakPolarHBondContact O-CB 3Å; A252-R256 PolarHBondContact O-N 3.37Å; D253-R256 WeakPolarHBondContact O-CB 3.25Å; D253-R256 PolarHBondContact O-N 3.13Å; D253-R256 IonicContact OD1-CZ 3.02Å; D253-R256 IonicContact OD1-NH1 3.16Å; D253-R256 PolarHBondContact OD1-NH1 3.19Å; Y254-R256 PolarHBondContact O-N 3.25Å; R256-M259 PolarHBondContact O-N 3.4Å; R256-I260 HydrophobicContact CG-CD1 3.6Å; R256-I260 HydrophobicContact CG-CG1 4.42Å; R256-I260 WeakPolarHBondContact O-CB 3.48Å; R256-I260 WeakPolarHBondContact O-CG1 3.39Å; R256-I260 PolarHBondContact O-N 3.35Å; R256-V273 HydrophobicContact CB-CG1 4.16Å; R256-V273 HydrophobicContact CG-CG1 3.99Å |
| 257 | Q | 91 | Very high | 87.1 | Confident | 118 Ų | 118 | 53.9 Ų | 53.9 | 55% | 0.551 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -62.7 | -47.9 | 177.6 | -73.5 | 178.9 | 34.3 | 0 | 0 | 110.9 | D253 Y254 M259 I260 D261 | D253-Q257 WeakPolarHBondContact O-CB 3.15Å; D253-Q257 VanDerWaalsContact O-CG 3.24Å; D253-Q257 WeakPolarHBondContact O-CG 3.34Å; D253-Q257 PolarHBondContact O-N 2.95Å; D253-Q257 PolarHBondContact OD2-NE2 3.24Å; Y254-Q257 PolarHBondContact O-N 3.23Å; Q257-M259 PolarHBondContact O-N 2.94Å; Q257-I260 PolarHBondContact O-N 3.32Å; Q257-D261 PolarHBondContact O-N 3.09Å |
| 258 | K | 88.8 | Confident | 86.7 | Confident | 66 Ų | 66 | 52.9 Ų | 52.9 | 29% | 0.287 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61 | -39.2 | 175.4 | -91.5 | -173.9 | 166.9 | 175.4 | 0 | 113 | D101 Y105 V219 Y254 S255 D261 F264 | D101-K258 IonicContact OD2-NZ 3.27Å; D101-K258 PolarHBondContact OD2-NZ 3.47Å; Y105-K258 PolarHBondContact OH-NZ 3.18Å; Y105-K258 VanDerWaalsContact OH-NZ 3.14Å; V219-K258 HydrophobicContact CG1-CB 3.63Å; V219-K258 HydrophobicContact CG1-CD 4.06Å; V219-K258 HydrophobicContact CG1-CG 4.5Å; V219-K258 WeakPolarHBondContact O-CD 3.48Å; V219-K258 PolarHBondContact O-NZ 3.03Å; Y254-K258 HydrophobicContact CD1-CD 4.49Å; Y254-K258 HydrophobicContact CE1-CD 3.66Å; Y254-K258 HydrophobicContact CE1-CG 4.41Å; Y254-K258 PolarHBondContact O-N 2.85Å; Y254-K258 WeakPolarHBondContact OH-CE 3.48Å; Y254-K258 PolarHBondContact OH-NZ 3.43Å; S255-K258 PolarHBondContact O-N 3.16Å; K258-D261 PolarHBondContact O-N 3.02Å; K258-F264 WeakPolarHBondContact O-CB 3.44Å |
| 259 | M | 88.9 | Confident | 86.5 | Confident | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.01 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -79.3 | -23.1 | -178.5 | -64.5 | 174.1 | -159.5 | 0 | 0 | 114.8 | I200 I216 V219 S255 R256 Q257 D261 F264 P271 V273 | I200-M259 HydrophobicContact CD1-CE 4.36Å; I200-M259 HydrophobicContact CD1-SD 3.59Å; I200-M259 VanDerWaalsContact CD1-SD 3.59Å; I200-M259 HydrophobicContact CG1-SD 4.46Å; I216-M259 HydrophobicContact CD1-CE 3.35Å; I216-M259 HydrophobicContact CD1-SD 3.7Å; I216-M259 HydrophobicContact CG1-CE 4.49Å; I216-M259 HydrophobicContact CG2-CE 4.17Å; V219-M259 HydrophobicContact CB-CE 3.81Å; V219-M259 HydrophobicContact CG1-CE 3.56Å; V219-M259 HydrophobicContact CG1-CG 3.96Å; V219-M259 HydrophobicContact CG2-CE 4.17Å; V219-M259 HydrophobicContact CG2-CG 4.41Å; S255-M259 WeakPolarHBondContact O-CB 3.01Å; S255-M259 WeakPolarHBondContact O-CG 3.48Å; S255-M259 PolarHBondContact O-N 3.4Å; R256-M259 PolarHBondContact O-N 3.4Å; Q257-M259 PolarHBondContact O-N 2.94Å; M259-D261 VanDerWaalsContact C-N 3.32Å; M259-F264 HydrophobicContact CB-CD1 3.83Å; M259-F264 HydrophobicContact CB-CE1 3.98Å; M259-F264 HydrophobicContact CG-CD1 3.91Å; M259-F264 HydrophobicContact CG-CE1 3.62Å; M259-F264 HydrophobicContact CG-CZ 4.12Å; M259-P271 HydrophobicContact CB-CG 4.49Å; M259-P271 WeakPolarHBondContact O-CG 3.44Å; M259-V273 HydrophobicContact CB-CB 4.46Å; M259-V273 HydrophobicContact CB-CG2 3.63Å; M259-V273 HydrophobicContact SD-CG2 4.27Å |
| 260 | I | 88.8 | Confident | 86.5 | Confident | 85 Ų | 85 | 58.2 Ų | 58.2 | 44% | 0.436 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -77.3 | -22.2 | 173.3 | -71.2 | 170.8 | 0 | 0 | 0 | 111.1 | R256 Q257 V273 | R256-I260 HydrophobicContact CG-CD1 3.6Å; R256-I260 HydrophobicContact CG-CG1 4.42Å; R256-I260 WeakPolarHBondContact O-CB 3.48Å; R256-I260 WeakPolarHBondContact O-CG1 3.39Å; R256-I260 PolarHBondContact O-N 3.35Å; Q257-I260 PolarHBondContact O-N 3.32Å; I260-V273 HydrophobicContact CG1-CB 4.05Å |
| 261 | D | 86.6 | Confident | 86.6 | Confident | 80 Ų | 80 | 57.6 Ų | 57.6 | 43% | 0.428 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -60.2 | 139.6 | 178.3 | -173.9 | 23.5 | 0 | 0 | 0 | 111.8 | Q257 K258 M259 N263 F264 | Q257-D261 PolarHBondContact O-N 3.09Å; K258-D261 PolarHBondContact O-N 3.02Å; M259-D261 VanDerWaalsContact C-N 3.32Å; D261-N263 PolarHBondContact O-N 3.19Å; D261-N263 WeakPolarHBondContact OD2-CB 3.34Å; D261-N263 PolarHBondContact OD2-ND2 3.24Å; D261-F264 PolarHBondContact O-N 3.26Å |
| 262 | S | 80.1 | Confident | 86.6 | Confident | 98 Ų | 98 | 61.2 Ų | 61.2 | 69% | 0.685 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -13.7 | -175.1 | -64.5 | 0 | 0 | 0 | 0 | 113.8 | K265 | S262-K265 VanDerWaalsContact O-CE 3.3Å; S262-K265 WeakPolarHBondContact O-CE 3.17Å |
| 263 | N | 81.6 | Confident | 86.7 | Confident | 139 Ų | 139 | 61.7 Ų | 61.7 | 74% | 0.743 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -28.1 | 173.5 | -61.8 | -47.7 | 0 | 0 | 0 | 112.3 | D261 | D261-N263 PolarHBondContact O-N 3.19Å; D261-N263 WeakPolarHBondContact OD2-CB 3.34Å; D261-N263 PolarHBondContact OD2-ND2 3.24Å |
| 264 | F | 84.2 | Confident | 86.8 | Confident | 41 Ų | 41 | 63.1 Ų | 63.1 | 18% | 0.18 | 35% | 0.346 | C | S | . | . | trans | -85.2 | 123 | -177.6 | -172.5 | -102.1 | 0 | 0 | 0 | 111.7 | V215 V219 K258 M259 D261 L266 P271 | V215-F264 HydrophobicContact CG1-CE2 4.12Å; V215-F264 HydrophobicContact CG1-CZ 3.75Å; V219-F264 HydrophobicContact CG2-CD2 3.96Å; V219-F264 HydrophobicContact CG2-CE2 3.22Å; V219-F264 HydrophobicContact CG2-CZ 3.59Å; K258-F264 WeakPolarHBondContact O-CB 3.44Å; M259-F264 HydrophobicContact CB-CD1 3.83Å; M259-F264 HydrophobicContact CB-CE1 3.98Å; M259-F264 HydrophobicContact CG-CD1 3.91Å; M259-F264 HydrophobicContact CG-CE1 3.62Å; M259-F264 HydrophobicContact CG-CZ 4.12Å; D261-F264 PolarHBondContact O-N 3.26Å; F264-L266 HydrophobicContact CE1-CD2 3.54Å; F264-L266 HydrophobicContact CE1-CG 4.23Å; F264-L266 HydrophobicContact CZ-CD2 3.56Å; F264-P271 HydrophobicContact CD1-CG 3.72Å; F264-P271 HydrophobicContact CE1-CG 3.89Å | ||
| 265 | K | 83.6 | Confident | 86.7 | Confident | 122 Ų | 122 | 65.6 Ų | 65.6 | 53% | 0.53 | 36% | 0.355 | S | S | . | . | trans | -144.7 | 128.9 | -176.7 | -63.5 | -178.8 | -176 | 174 | 0 | 112.1 | S262 E267 N269 | S262-K265 VanDerWaalsContact O-CE 3.3Å; S262-K265 WeakPolarHBondContact O-CE 3.17Å; K265-E267 PolarHBondContact O-N 3.16Å; K265-N269 CarbonylContact C-O 3.57Å; K265-N269 VanDerWaalsContact CA-O 3.3Å; K265-N269 WeakPolarHBondContact CA-O 3.35Å | ||
| 266 | L | 83.4 | Confident | 86.5 | Confident | 2 Ų | 2 | 66 Ų | 66 | 1% | 0.01 | 36% | 0.358 | C | S | . | . | B | Isolated β-bridge | trans | -87.1 | 103.8 | 173.1 | -50.5 | -176.6 | 0 | 0 | 0 | 108.5 | I203 P204 W207 F212 V215 F264 G268 N269 P271 | I203-L266 HydrophobicContact CG1-CD1 4.18Å; P204-L266 HydrophobicContact CG-CB 4.04Å; W207-L266 HydrophobicContact CH2-CB 3.9Å; W207-L266 HydrophobicContact CH2-CD2 3.73Å; W207-L266 HydrophobicContact CH2-CG 4.32Å; W207-L266 HydrophobicContact CZ2-CB 4.37Å; W207-L266 HydrophobicContact CZ3-CB 4.21Å; W207-L266 HydrophobicContact CZ3-CD1 4.33Å; W207-L266 HydrophobicContact CZ3-CD2 3.78Å; W207-L266 HydrophobicContact CZ3-CG 4.32Å; F212-L266 HydrophobicContact CE2-CD1 4.26Å; V215-L266 HydrophobicContact CG1-CD2 3.79Å; F264-L266 HydrophobicContact CE1-CD2 3.54Å; F264-L266 HydrophobicContact CE1-CG 4.23Å; F264-L266 HydrophobicContact CZ-CD2 3.56Å; L266-G268 PolarHBondContact O-N 2.97Å; L266-G268 VanDerWaalsContact O-N 3.14Å; L266-N269 PolarHBondContact N-O 3.39Å; L266-N269 WeakPolarHBondContact O-CB 3.27Å; L266-N269 PolarHBondContact O-N 3.21Å; L266-P271 HydrophobicContact CD1-CB 3.95Å; L266-P271 HydrophobicContact CG-CB 4.27Å; L266-P271 HydrophobicContact CG-CG 4.38Å |
| 267 | E | 78.7 | Confident | 85.8 | Confident | 121 Ų | 121 | 69.5 Ų | 69.5 | 57% | 0.565 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.5 | 36 | -172.3 | -69.2 | -175.4 | 178.1 | 0 | 0 | 114.2 | P204 N206 W207 K265 N269 | P204-E267 HydrophobicContact CG-CB 4Å; P204-E267 HydrophobicContact CG-CG 4.31Å; N206-E267 PolarHBondContact ND2-OE1 3.42Å; N206-E267 PolarHBondContact ND2-OE2 3.05Å; W207-E267 HydrophobicContact CZ2-CG 3.89Å; W207-E267 PolarHBondContact NE1-OE1 3.16Å; K265-E267 PolarHBondContact O-N 3.16Å; E267-N269 VanDerWaalsContact C-N 3.32Å; E267-N269 PolarHBondContact O-N 3.27Å |
| 268 | G | 78.2 | Confident | 84.7 | Confident | 54 Ų | 54 | 68.2 Ų | 68.2 | 56% | 0.557 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87 | -9.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | L266 | L266-G268 PolarHBondContact O-N 2.97Å; L266-G268 VanDerWaalsContact O-N 3.14Å |
| 269 | N | 80.9 | Confident | 83.4 | Confident | 70 Ų | 70 | 68.8 Ų | 68.8 | 37% | 0.374 | 39% | 0.386 | S | S | . | . | B | Isolated β-bridge | trans | -81.3 | 132.8 | 169.8 | -66.6 | -29.9 | 0 | 0 | 0 | 110.4 | K265 L266 E267 | K265-N269 CarbonylContact C-O 3.57Å; K265-N269 VanDerWaalsContact CA-O 3.3Å; K265-N269 WeakPolarHBondContact CA-O 3.35Å; L266-N269 PolarHBondContact N-O 3.39Å; L266-N269 WeakPolarHBondContact O-CB 3.27Å; L266-N269 PolarHBondContact O-N 3.21Å; E267-N269 VanDerWaalsContact C-N 3.32Å; E267-N269 PolarHBondContact O-N 3.27Å |
| 270 | A | 87.4 | Confident | 81.5 | Confident | 61 Ų | 61 | 73.7 Ų | 73.7 | 50% | 0.504 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -73.4 | 125.1 | 166.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | N202 | N202-A270 PolarHBondContact ND2-O 2.85Š|
| 271 | P | 89.9 | Confident | 79.4 | Confident | 14 Ų | 14 | 71.3 Ų | 71.3 | 9% | 0.091 | 41% | 0.411 | C | S | . | . | P | Polyproline II helix | trans | -72.7 | 149.4 | 176.9 | 30.6 | -34.1 | 0 | 0 | 0 | 111.3 | I200 G201 M259 F264 L266 V273 | I200-P271 HydrophobicContact CG2-CB 4.17Å; G201-P271 WeakPolarHBondContact O-CA 3.45Å; M259-P271 HydrophobicContact CB-CG 4.49Å; M259-P271 WeakPolarHBondContact O-CG 3.44Å; F264-P271 HydrophobicContact CD1-CG 3.72Å; F264-P271 HydrophobicContact CE1-CG 3.89Å; L266-P271 HydrophobicContact CD1-CB 3.95Å; L266-P271 HydrophobicContact CG-CB 4.27Å; L266-P271 HydrophobicContact CG-CG 4.38Å; P271-V273 HydrophobicContact CB-CG2 4.08Å; P271-V273 HydrophobicContact CG-CG2 4.18Å |
| 272 | T | 91.1 | Very high | 77.5 | Confident | 76 Ų | 76 | 70.5 Ų | 70.5 | 47% | 0.466 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 101.7 | 170.2 | -58.3 | 0 | 0 | 0 | 0 | 108.3 | G201 | G201-T272 PolarHBondContact N-O 3.48Å; G201-T272 PolarHBondContact O-N 3.14Å |
| 273 | V | 92.5 | Very high | 75.9 | Confident | 10 Ų | 10 | 72.9 Ų | 72.9 | 6% | 0.061 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 119.4 | -179.7 | -170.8 | 0 | 0 | 0 | 0 | 111.6 | L198 F199 I200 R256 M259 I260 P271 | L198-V273 HydrophobicContact CB-CG1 4.47Å; L198-V273 HydrophobicContact CD1-CG1 3.95Å; L198-V273 HydrophobicContact CD2-CG1 4.46Å; F199-V273 WeakPolarHBondContact O-CA 3.47Å; I200-V273 HydrophobicContact CG1-CG1 4.19Å; I200-V273 HydrophobicContact CG1-CG2 4.14Å; I200-V273 HydrophobicContact CG2-CG2 4.25Å; R256-V273 HydrophobicContact CB-CG1 4.16Å; R256-V273 HydrophobicContact CG-CG1 3.99Å; M259-V273 HydrophobicContact CB-CB 4.46Å; M259-V273 HydrophobicContact CB-CG2 3.63Å; M259-V273 HydrophobicContact SD-CG2 4.27Å; I260-V273 HydrophobicContact CG1-CB 4.05Å; P271-V273 HydrophobicContact CB-CG2 4.08Å; P271-V273 HydrophobicContact CG-CG2 4.18Å |
| 274 | T | 91.7 | Very high | 74.5 | Confident | 63 Ų | 63 | 73.4 Ų | 73.4 | 39% | 0.387 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 165 | 175.8 | 62.5 | 0 | 0 | 0 | 0 | 109.9 | F199 A276 | F199-T274 PolarHBondContact N-O 2.91Å; F199-T274 PolarHBondContact O-N 2.93Å; T274-A276 PolarHBondContact O-N 3.46Å |
| 275 | W | 89.8 | Confident | 73.2 | Confident | 89 Ų | 89 | 73.4 Ų | 73.4 | 34% | 0.337 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.5 | 137.1 | 159.3 | -63.8 | 119 | 0 | 0 | 0 | 108.7 | S195 L198 N249 A252 D253 | S195-W275 WeakPolarHBondContact O-CH2 3.37Å; S195-W275 WeakPolarHBondContact O-CZ3 3.14Å; L198-W275 HydrophobicContact CD2-CD2 4.31Å; L198-W275 HydrophobicContact CD2-CE3 3.52Å; L198-W275 HydrophobicContact CD2-CH2 4.14Å; L198-W275 HydrophobicContact CD2-CZ3 3.39Å; N249-W275 VanDerWaalsContact ND2-CH2 3.29Å; N249-W275 WeakPolarHBondContact ND2-CH2 3.3Å; A252-W275 HydrophobicContact CB-CH2 3.96Å; A252-W275 HydrophobicContact CB-CZ3 3.67Å; D253-W275 HydrophobicContact CB-CH2 3.78Å; D253-W275 HydrophobicContact CB-CZ2 3.89Å; D253-W275 VanDerWaalsContact OD1-CZ2 3.29Å; D253-W275 WeakPolarHBondContact OD1-CZ2 3.27Å |
| 276 | A | 86.3 | Confident | 72 | Confident | 8 Ų | 8 | 71.1 Ų | 71.1 | 7% | 0.066 | 42% | 0.418 | C | S | . | . | P | Polyproline II helix | trans | -73 | 142.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | R197 F199 F243 T274 | R197-A276 HydrophobicContact CB-CB 4Å; R197-A276 HydrophobicContact CG-CB 3.63Å; R197-A276 WeakPolarHBondContact O-CB 3.47Å; R197-A276 PolarHBondContact O-N 2.9Å; F199-A276 HydrophobicContact CB-CB 4.3Å; F243-A276 HydrophobicContact CD1-CB 3.77Å; F243-A276 HydrophobicContact CE1-CB 4.07Å; T274-A276 PolarHBondContact O-N 3.46Å |
| 277 | D | 78.9 | Confident | 71 | Confident | 140 Ų | 140 | 73 Ų | 73 | 75% | 0.749 | 43% | 0.433 | S | S | * | . | P | Polyproline II helix | trans | -56.5 | 144.1 | 166.8 | -64.1 | -49.1 | 0 | 0 | 0 | 109.5 | K279 | D277-K279 PolarHBondContact O-N 2.81Š|
| 278 | P | 67.7 | Low | 70.3 | Confident | 91 Ų | 91 | 67.5 Ų | 67.5 | 59% | 0.591 | 41% | 0.409 | S | S | * | . | trans | -42 | 96.2 | 164.8 | -36.3 | 41 | 0 | 0 | 0 | 112 | L194 S280 | L194-P278 HydrophobicContact CB-CG 4.46Å; L194-P278 HydrophobicContact CD1-CB 3.5Å; L194-P278 VanDerWaalsContact CD1-CB 3.5Å; L194-P278 HydrophobicContact CD1-CG 3.85Å; P278-S280 PolarHBondContact O-N 2.76Å | ||
| 279 | K | 61.2 | Low | 69.8 | Low | 79 Ų | 79 | 66.8 Ų | 66.8 | 34% | 0.343 | 40% | 0.397 | S | S | . | . | trans | -64.4 | 113 | 169.6 | -88 | -148.7 | -179.6 | -179.2 | 0 | 106.2 | E227 D277 S281 | E227-K279 IonicContact OE1-NZ 3.61Å; E227-K279 PolarHBondContact OE1-NZ 2.92Å; E227-K279 IonicContact OE2-NZ 4Å; E227-K279 PolarHBondContact OE2-NZ 2.87Å; D277-K279 PolarHBondContact O-N 2.81Å; K279-S281 PolarHBondContact O-N 2.79Å | ||
| 280 | S | 48.1 | Very low | 69.5 | Low | 104 Ų | 104 | 70.4 Ų | 70.4 | 73% | 0.727 | 41% | 0.412 | S | S | * | . | trans | -65.5 | 67.8 | 155.1 | -169.6 | 0 | 0 | 0 | 0 | 108.3 | P278 | P278-S280 PolarHBondContact O-N 2.76Š| ||
| 281 | S | 44.9 | Very low | 69.2 | Low | 35 Ų | 35 | 68.1 Ų | 68.1 | 25% | 0.245 | 39% | 0.392 | C | S | . | . | trans | -69.9 | 125.4 | 163.7 | -176.4 | 0 | 0 | 0 | 0 | 105.8 | K279 E283 H284 S285 | K279-S281 PolarHBondContact O-N 2.79Å; S281-E283 PolarHBondContact O-N 3.16Å; S281-H284 PolarHBondContact O-N 3.39Å; S281-S285 PolarHBondContact O-N 2.81Å | ||
| 282 | P | 46.5 | Very low | 69.2 | Low | 64 Ų | 64 | 72.5 Ų | 72.5 | 42% | 0.416 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | 4.7 | -178.2 | 29.3 | -36.3 | 0 | 0 | 0 | 113.8 | A288 P368 | P282-A288 WeakPolarHBondContact O-CB 3.14Å; P282-P368 WeakPolarHBondContact O-CD 3.36Å |
| 283 | E | 47.4 | Very low | 69.2 | Low | 147 Ų | 147 | 69.4 Ų | 69.4 | 69% | 0.687 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.9 | -23.3 | 172.6 | -64.9 | 173.3 | 175 | 0 | 0 | 113.4 | S281 A288 | S281-E283 PolarHBondContact O-N 3.16Å; E283-A288 VanDerWaalsContact C-CB 3.43Å; E283-A288 WeakPolarHBondContact O-CB 3.39Å |
| 284 | H | 51.6 | Low | 69.1 | Low | 151 Ų | 151 | 69 Ų | 69 | 70% | 0.699 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.5 | 1.5 | -172.8 | -70 | 76.1 | 0 | 0 | 0 | 113.9 | S281 | S281-H284 PolarHBondContact O-N 3.39Š|
| 285 | S | 56.6 | Low | 69 | Low | 40 Ų | 40 | 69.1 Ų | 69.1 | 28% | 0.28 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -65.2 | 151.5 | 168.4 | 176.8 | 0 | 0 | 0 | 0 | 110.9 | S281 A287 A288 A289 | S281-S285 PolarHBondContact O-N 2.81Å; S285-A287 PolarHBondContact O-N 2.97Å; S285-A287 PolarHBondContact OG-N 2.72Å; S285-A288 WeakPolarHBondContact O-CA 3.37Å; S285-A288 WeakPolarHBondContact O-CB 3.43Å; S285-A288 PolarHBondContact O-N 2.99Å; S285-A289 PolarHBondContact O-N 3.34Å |
| 286 | A | 59.6 | Low | 69.1 | Low | 75 Ų | 75 | 64.9 Ų | 64.9 | 62% | 0.62 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -35.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A288 A289 Q290 | A286-A288 VanDerWaalsContact C-N 3.32Å; A286-A288 PolarHBondContact O-N 2.68Å; A286-A289 CarbonylContact O-C 3.49Å; A286-A289 WeakPolarHBondContact O-CB 3.46Å; A286-A289 PolarHBondContact O-N 2.89Å; A286-Q290 WeakPolarHBondContact O-CG 3.27Å; A286-Q290 PolarHBondContact O-N 2.86Å |
| 287 | A | 62.5 | Low | 69.1 | Low | 41 Ų | 41 | 68.1 Ų | 68.1 | 34% | 0.339 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -33.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | S285 Q290 V291 P368 | S285-A287 PolarHBondContact O-N 2.97Å; S285-A287 PolarHBondContact OG-N 2.72Å; A287-Q290 PolarHBondContact O-N 3.46Å; A287-V291 WeakPolarHBondContact O-CG2 3.04Å; A287-V291 PolarHBondContact O-N 2.76Å; A287-P368 HydrophobicContact CB-CB 3.83Å; A287-P368 HydrophobicContact CB-CG 4.22Å |
| 288 | A | 64.2 | Low | 69.5 | Low | 6 Ų | 6 | 64.7 Ų | 64.7 | 5% | 0.05 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -67.5 | -38.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | P282 E283 S285 A286 Q290 V291 P368 | P282-A288 WeakPolarHBondContact O-CB 3.14Å; E283-A288 VanDerWaalsContact C-CB 3.43Å; E283-A288 WeakPolarHBondContact O-CB 3.39Å; S285-A288 WeakPolarHBondContact O-CA 3.37Å; S285-A288 WeakPolarHBondContact O-CB 3.43Å; S285-A288 PolarHBondContact O-N 2.99Å; A286-A288 VanDerWaalsContact C-N 3.32Å; A286-A288 PolarHBondContact O-N 2.68Å; A288-Q290 PolarHBondContact O-N 3.29Å; A288-V291 WeakPolarHBondContact O-CB 3.17Å; A288-V291 PolarHBondContact O-N 3Å; A288-V291 VanDerWaalsContact O-N 3.13Å; A288-P368 HydrophobicContact CB-CG 4.47Å |
| 289 | A | 67.9 | Low | 70.4 | Confident | 38 Ų | 38 | 60.9 Ų | 60.9 | 31% | 0.314 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -67.3 | -9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | S285 A286 R341 | S285-A289 PolarHBondContact O-N 3.34Å; A286-A289 CarbonylContact O-C 3.49Å; A286-A289 WeakPolarHBondContact O-CB 3.46Å; A286-A289 PolarHBondContact O-N 2.89Å; A289-R341 WeakPolarHBondContact O-CD 3.3Å; A289-R341 PolarHBondContact O-NE 3.01Å; A289-R341 VanDerWaalsContact O-NE 3.08Å; A289-R341 PolarHBondContact O-NH1 3.37Å |
| 290 | Q | 74.6 | Confident | 71.4 | Confident | 147 Ų | 147 | 57.6 Ų | 57.6 | 69% | 0.687 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -106.5 | -1.7 | 173.9 | -68.5 | 172.1 | -13.7 | 0 | 0 | 113.2 | A286 A287 A288 K292 | A286-Q290 WeakPolarHBondContact O-CG 3.27Å; A286-Q290 PolarHBondContact O-N 2.86Å; A287-Q290 PolarHBondContact O-N 3.46Å; A288-Q290 PolarHBondContact O-N 3.29Å; Q290-K292 PolarHBondContact O-N 3.25Å |
| 291 | V | 80.5 | Confident | 72.8 | Confident | 13 Ų | 13 | 57.4 Ų | 57.4 | 8% | 0.079 | 31% | 0.31 | C | S | . | . | trans | -64.8 | 112.3 | -179.9 | 173.5 | 0 | 0 | 0 | 0 | 110.8 | A287 A288 A293 L365 A366 P368 | A287-V291 WeakPolarHBondContact O-CG2 3.04Å; A287-V291 PolarHBondContact O-N 2.76Å; A288-V291 WeakPolarHBondContact O-CB 3.17Å; A288-V291 PolarHBondContact O-N 3Å; A288-V291 VanDerWaalsContact O-N 3.13Å; V291-A293 HydrophobicContact CG1-CB 4.44Å; V291-A293 WeakPolarHBondContact CG1-O 3.42Å; V291-L365 HydrophobicContact CB-CD2 4.33Å; V291-L365 HydrophobicContact CG1-CD2 3.79Å; V291-A366 HydrophobicContact CG1-CB 4.26Å; V291-A366 WeakPolarHBondContact CG1-O 3.5Å; V291-P368 HydrophobicContact CG2-CB 3.81Å; V291-P368 HydrophobicContact CG2-CG 4.34Å | ||
| 292 | K | 89.1 | Confident | 74.3 | Confident | 105 Ų | 105 | 62.7 Ų | 62.7 | 46% | 0.457 | 34% | 0.335 | S | S | . | . | trans | -97.3 | 8.1 | 169 | -57.2 | -179.9 | 175 | -169.3 | 0 | 113 | Q290 Y338 A339 R341 | Q290-K292 PolarHBondContact O-N 3.25Å; K292-Y338 PolarHBondContact O-N 2.82Å; K292-A339 WeakPolarHBondContact CD-O 3.47Å; K292-A339 WeakPolarHBondContact CE-O 3.1Å; K292-A339 PolarHBondContact NZ-O 2.84Å; K292-R341 HydrophobicContact CG-CB 4.33Å | ||
| 293 | A | 91.2 | Very high | 75.9 | Confident | 12 Ų | 12 | 60.3 Ų | 60.3 | 10% | 0.099 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 143.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | V291 V336 A366 | V291-A293 HydrophobicContact CG1-CB 4.44Å; V291-A293 WeakPolarHBondContact CG1-O 3.42Å; A293-V336 CarbonylContact C-O 3.45Å; A293-V336 VanDerWaalsContact CA-O 3.26Å; A293-V336 WeakPolarHBondContact CA-O 3.22Å; A293-A366 HydrophobicContact CB-CB 3.85Å; A293-A366 VanDerWaalsContact O-CB 3.22Å; A293-A366 WeakPolarHBondContact O-CB 3.24Å; A293-A366 PolarHBondContact O-N 3.47Å |
| 294 | L | 91.1 | Very high | 77.7 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 145.3 | 170.7 | -56.7 | -177.8 | 0 | 0 | 0 | 110.4 | V296 F312 F335 V336 Y338 A344 A347 V348 V363 V364 | L294-V296 HydrophobicContact CB-CG2 4.19Å; L294-F312 HydrophobicContact CD1-CD1 3.83Å; L294-F312 HydrophobicContact CD1-CE1 3.83Å; L294-F335 WeakPolarHBondContact O-CA 3.38Å; L294-V336 HydrophobicContact CB-CB 4.34Å; L294-V336 PolarHBondContact N-O 2.85Å; L294-V336 PolarHBondContact O-N 3.18Å; L294-Y338 HydrophobicContact CD1-CE2 3.71Å; L294-Y338 HydrophobicContact CG-CE2 3.98Å; L294-A344 HydrophobicContact CD2-CB 4.09Å; L294-A347 HydrophobicContact CD1-CB 3.76Å; L294-V348 HydrophobicContact CD2-CG2 3.47Å; L294-V348 VanDerWaalsContact CD2-CG2 3.47Å; L294-V363 HydrophobicContact CB-CG1 4.44Å; L294-V363 HydrophobicContact CD1-CG1 3.75Å; L294-V363 HydrophobicContact CD2-CG1 4.44Å; L294-V363 HydrophobicContact CG-CG1 4.45Å; L294-V364 CarbonylContact C-O 3.58Å; L294-V364 WeakPolarHBondContact CA-O 3.48Å |
| 295 | Y | 90.4 | Very high | 79.4 | Confident | 67 Ų | 67 | 51.6 Ų | 51.6 | 26% | 0.263 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 123.2 | 158.4 | 175.6 | -108 | 0 | 0 | 0 | 108.2 | K297 F333 F335 V364 | Y295-K297 HydrophobicContact CD1-CB 4.44Å; Y295-K297 HydrophobicContact CE1-CB 3.71Å; Y295-K297 HydrophobicContact CE1-CD 3.9Å; Y295-K297 HydrophobicContact CE1-CG 4.45Å; Y295-F333 HydrophobicContact CE2-CB 3.77Å; Y295-F333 AromaticContact CE2-CD2 3.73Å; Y295-F333 HydrophobicContact CE2-CD2 3.73Å; Y295-F333 AromaticContact CE2-CG 4Å; Y295-F333 HydrophobicContact CE2-CG 4Å; Y295-F335 HydrophobicContact CD2-CD1 4.23Å; Y295-F335 AromaticContact CD2-CE1 3.65Å; Y295-F335 HydrophobicContact CD2-CE1 3.65Å; Y295-F335 AromaticContact CD2-CZ 3.89Å; Y295-F335 HydrophobicContact CD2-CZ 3.89Å; Y295-F335 HydrophobicContact CE2-CZ 4.33Å; Y295-F335 HydrophobicContact CG-CE1 4.45Å; Y295-V364 PolarHBondContact N-O 2.89Å; Y295-V364 PolarHBondContact O-N 2.81Å |
| 296 | V | 90.1 | Very high | 80.8 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 124.6 | -178.5 | -176.5 | 0 | 0 | 0 | 0 | 108 | L294 I299 F312 F333 G334 V336 L361 E362 V363 | L294-V296 HydrophobicContact CB-CG2 4.19Å; V296-I299 HydrophobicContact CB-CD1 4.17Å; V296-I299 HydrophobicContact CG1-CD1 3.95Å; V296-I299 HydrophobicContact CG1-CG1 3.9Å; V296-F312 HydrophobicContact CG1-CE2 4.17Å; V296-F312 HydrophobicContact CG1-CZ 4.09Å; V296-F312 HydrophobicContact CG2-CE1 4.44Å; V296-F312 HydrophobicContact CG2-CE2 3.82Å; V296-F312 HydrophobicContact CG2-CZ 3.65Å; V296-F333 CarbonylContact O-C 3.5Å; V296-F333 WeakPolarHBondContact O-CA 3.26Å; V296-F333 WeakPolarHBondContact O-CB 3.23Å; V296-G334 PolarHBondContact N-O 3.49Å; V296-G334 PolarHBondContact O-N 2.8Å; V296-V336 HydrophobicContact CG2-CG2 3.92Å; V296-L361 HydrophobicContact CG1-CB 4.12Å; V296-L361 HydrophobicContact CG1-CD1 3.79Å; V296-L361 HydrophobicContact CG1-CG 4.42Å; V296-E362 CarbonylContact C-O 3.52Å; V296-E362 WeakPolarHBondContact CA-O 3.39Å; V296-V363 HydrophobicContact CG1-CG2 4.41Å; V296-V363 HydrophobicContact CG2-CG2 4.49Å |
| 297 | K | 88.1 | Confident | 82.2 | Confident | 76 Ų | 76 | 56.8 Ų | 56.8 | 33% | 0.33 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 160.4 | -175.7 | 167.2 | 164.6 | 163.1 | -94.2 | 0 | 110.9 | Y295 D332 L361 E362 | Y295-K297 HydrophobicContact CD1-CB 4.44Å; Y295-K297 HydrophobicContact CE1-CB 3.71Å; Y295-K297 HydrophobicContact CE1-CD 3.9Å; Y295-K297 HydrophobicContact CE1-CG 4.45Å; K297-D332 CarbonylContact C-O 3.54Å; K297-L361 WeakPolarHBondContact O-CA 3.4Å; K297-E362 HydrophobicContact CB-CB 4.14Å; K297-E362 HydrophobicContact CG-CB 4.46Å; K297-E362 PolarHBondContact N-O 2.81Å; K297-E362 IonicContact NZ-OE1 3.28Å; K297-E362 PolarHBondContact NZ-OE1 2.89Å; K297-E362 IonicContact NZ-OE2 3.93Å; K297-E362 PolarHBondContact NZ-OE2 2.75Å; K297-E362 PolarHBondContact O-N 2.88Å |
| 298 | N | 86.6 | Confident | 83.4 | Confident | 68 Ų | 68 | 54.9 Ų | 54.9 | 36% | 0.364 | 28% | 0.28 | S | S | . | . | S | Bend | trans | 66.2 | 35.4 | -171.8 | -160.2 | 46 | 0 | 0 | 0 | 113.3 | P300 D332 P360 L361 | N298-P300 WeakPolarHBondContact O-CD 3.46Å; N298-D332 PolarHBondContact N-O 3.21Å; N298-P360 PolarHBondContact ND2-O 2.84Å; N298-L361 WeakPolarHBondContact O-CD2 3.41Å |
| 299 | I | 85.9 | Confident | 84.6 | Confident | 11 Ų | 11 | 59 Ų | 59 | 6% | 0.056 | 30% | 0.297 | C | S | . | . | trans | -71.2 | 127.6 | 177.3 | -55.7 | -179 | 0 | 0 | 0 | 109.5 | V296 T303 L308 T323 R331 D332 L361 | V296-I299 HydrophobicContact CB-CD1 4.17Å; V296-I299 HydrophobicContact CG1-CD1 3.95Å; V296-I299 HydrophobicContact CG1-CG1 3.9Å; I299-T303 HydrophobicContact CG2-CG2 4.25Å; I299-L308 HydrophobicContact CD1-CD1 4.09Å; I299-L308 HydrophobicContact CD1-CD2 4.39Å; I299-L308 HydrophobicContact CG2-CD1 4.4Å; I299-T323 HydrophobicContact CD1-CG2 4.12Å; I299-R331 VanDerWaalsContact O-O 3.13Å; I299-D332 PolarHBondContact N-O 2.67Å; I299-D332 VanDerWaalsContact N-O 3.15Å; I299-L361 HydrophobicContact CG1-CD2 4.33Å | ||
| 300 | P | 82.1 | Confident | 85.6 | Confident | 9 Ų | 9 | 64.8 Ų | 64.8 | 6% | 0.058 | 32% | 0.318 | C | S | . | . | trans | -64.8 | 140.5 | 174.5 | -16 | 23.5 | 0 | 0 | 0 | 111.8 | N298 N302 T303 V356 N357 Q359 | N298-P300 WeakPolarHBondContact O-CD 3.46Å; P300-N302 PolarHBondContact O-N 2.94Å; P300-T303 WeakPolarHBondContact CB-OG1 3.41Å; P300-T303 VanDerWaalsContact CD-OG1 3.25Å; P300-T303 WeakPolarHBondContact CD-OG1 3.34Å; P300-T303 WeakPolarHBondContact CG-OG1 3.41Å; P300-T303 VanDerWaalsContact O-CB 3.23Å; P300-T303 WeakPolarHBondContact O-CB 3.41Å; P300-T303 PolarHBondContact O-N 2.98Å; P300-T303 PolarHBondContact O-OG1 3.22Å; P300-V356 HydrophobicContact CG-CB 4.07Å; P300-V356 HydrophobicContact CG-CG1 4.27Å; P300-V356 WeakPolarHBondContact CG-O 3.41Å; P300-N357 HydrophobicContact CG-CB 4.47Å; P300-Q359 HydrophobicContact CG-CB 4.2Å; P300-Q359 HydrophobicContact CG-CG 4.4Å | ||
| 301 | E | 78.1 | Confident | 86.2 | Confident | 101 Ų | 101 | 59.7 Ų | 59.7 | 47% | 0.472 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -23.2 | -175.3 | -163.2 | 163.1 | -130.8 | 0 | 0 | 114.2 | K330 R331 | E301-K330 WeakPolarHBondContact OE1-CA 3.44Å; E301-R331 PolarHBondContact O-NH2 3.09Å |
| 302 | N | 76.6 | Confident | 86.6 | Confident | 145 Ų | 145 | 59 Ų | 59 | 78% | 0.775 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -3.2 | 175.8 | -68.5 | -18.5 | 0 | 0 | 0 | 114.4 | P300 | P300-N302 PolarHBondContact O-N 2.94Š|
| 303 | T | 80.8 | Confident | 86.7 | Confident | 14 Ų | 14 | 58.8 Ų | 58.8 | 9% | 0.086 | 29% | 0.292 | C | S | . | . | trans | -78.1 | 127.8 | -176.5 | -52.6 | 0 | 0 | 0 | 0 | 110.6 | I299 P300 Q307 L308 V356 | I299-T303 HydrophobicContact CG2-CG2 4.25Å; P300-T303 WeakPolarHBondContact CB-OG1 3.41Å; P300-T303 VanDerWaalsContact CD-OG1 3.25Å; P300-T303 WeakPolarHBondContact CD-OG1 3.34Å; P300-T303 WeakPolarHBondContact CG-OG1 3.41Å; P300-T303 VanDerWaalsContact O-CB 3.23Å; P300-T303 WeakPolarHBondContact O-CB 3.41Å; P300-T303 PolarHBondContact O-N 2.98Å; P300-T303 PolarHBondContact O-OG1 3.22Å; T303-Q307 HydrophobicContact CG2-CB 4.07Å; T303-L308 HydrophobicContact CG2-CD2 4.15Å; T303-L308 HydrophobicContact CG2-CG 3.91Å; T303-V356 HydrophobicContact CG2-CG1 3.82Å | ||
| 304 | S | 84.1 | Confident | 86.5 | Confident | 43 Ų | 43 | 63.9 Ų | 63.9 | 30% | 0.301 | 31% | 0.308 | S | S | . | . | trans | -82.1 | 157.9 | 174.7 | 75.2 | 0 | 0 | 0 | 0 | 111.8 | E306 Q307 L308 | S304-E306 PolarHBondContact O-N 3.3Å; S304-E306 PolarHBondContact OG-N 2.71Å; S304-Q307 VanDerWaalsContact N-OE1 3.14Å; S304-Q307 PolarHBondContact O-N 2.71Å; S304-Q307 WeakPolarHBondContact OG-CG 3.04Å; S304-Q307 PolarHBondContact OG-N 3.33Å; S304-Q307 VanDerWaalsContact OG-N 3.1Å; S304-L308 PolarHBondContact O-N 3.22Å | ||
| 305 | T | 86.5 | Confident | 86.3 | Confident | 72 Ų | 72 | 64.7 Ų | 64.7 | 44% | 0.442 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -60.8 | -28.3 | 169.9 | 43.9 | 0 | 0 | 0 | 0 | 112.2 | K309 I321 | T305-K309 WeakPolarHBondContact O-CB 3.05Å; T305-K309 PolarHBondContact O-N 2.65Å; T305-I321 HydrophobicContact CG2-CG2 4.06Å; T305-I321 VanDerWaalsContact O-CD1 3.27Å; T305-I321 WeakPolarHBondContact O-CD1 3.44Å |
| 306 | E | 87.9 | Confident | 86.2 | Confident | 150 Ų | 150 | 62.5 Ų | 62.5 | 70% | 0.701 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -68.2 | -43.4 | 176 | -60.5 | 170.9 | 165.4 | 0 | 0 | 111.6 | S304 L308 K309 E310 | S304-E306 PolarHBondContact O-N 3.3Å; S304-E306 PolarHBondContact OG-N 2.71Å; E306-L308 PolarHBondContact O-N 3.09Å; E306-K309 WeakPolarHBondContact O-CA 2.96Å; E306-K309 WeakPolarHBondContact O-CB 3.44Å; E306-K309 PolarHBondContact O-N 3.32Å; E306-K309 VanDerWaalsContact O-N 3.09Å; E306-E310 PolarHBondContact O-N 3.18Å |
| 307 | Q | 87.3 | Confident | 86.3 | Confident | 74 Ų | 74 | 68.8 Ų | 68.8 | 35% | 0.346 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.8 | -43.1 | 174.6 | -74.4 | 174.4 | -29.5 | 0 | 0 | 111.7 | T303 S304 K309 E310 L311 | T303-Q307 HydrophobicContact CG2-CB 4.07Å; S304-Q307 VanDerWaalsContact N-OE1 3.14Å; S304-Q307 PolarHBondContact O-N 2.71Å; S304-Q307 WeakPolarHBondContact OG-CG 3.04Å; S304-Q307 PolarHBondContact OG-N 3.33Å; S304-Q307 VanDerWaalsContact OG-N 3.1Å; Q307-K309 VanDerWaalsContact C-N 3.3Å; Q307-K309 PolarHBondContact O-N 2.85Å; Q307-E310 PolarHBondContact O-N 2.79Å; Q307-L311 WeakPolarHBondContact O-CB 3.33Å; Q307-L311 WeakPolarHBondContact O-CD1 3.03Å; Q307-L311 WeakPolarHBondContact O-CG 3.34Å; Q307-L311 PolarHBondContact O-N 3.18Å |
| 308 | L | 88.4 | Confident | 86.5 | Confident | 2 Ų | 2 | 65.5 Ų | 65.5 | 1% | 0.01 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61 | -41 | 172.6 | -68.3 | 169.3 | 0 | 0 | 0 | 111 | I299 T303 S304 E306 L311 F312 I321 L361 | I299-L308 HydrophobicContact CD1-CD1 4.09Å; I299-L308 HydrophobicContact CD1-CD2 4.39Å; I299-L308 HydrophobicContact CG2-CD1 4.4Å; T303-L308 HydrophobicContact CG2-CD2 4.15Å; T303-L308 HydrophobicContact CG2-CG 3.91Å; S304-L308 PolarHBondContact O-N 3.22Å; E306-L308 PolarHBondContact O-N 3.09Å; L308-L311 PolarHBondContact O-N 2.87Å; L308-F312 HydrophobicContact CD2-CE2 4.15Å; L308-F312 WeakPolarHBondContact O-CB 3.42Å; L308-F312 VanDerWaalsContact O-CD2 3.23Å; L308-F312 WeakPolarHBondContact O-CD2 3.3Å; L308-F312 PolarHBondContact O-N 2.81Å; L308-I321 HydrophobicContact CB-CD1 4.04Å; L308-I321 HydrophobicContact CD1-CG2 4.25Å; L308-L361 HydrophobicContact CD2-CD1 4.24Å |
| 309 | K | 89.4 | Confident | 86.7 | Confident | 93 Ų | 93 | 66.3 Ų | 66.3 | 40% | 0.404 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59.8 | -52.8 | 177 | -165.6 | 179.2 | 179.1 | 178.4 | 0 | 110.9 | T305 E306 Q307 L311 F312 Q313 V318 I321 | T305-K309 WeakPolarHBondContact O-CB 3.05Å; T305-K309 PolarHBondContact O-N 2.65Å; E306-K309 WeakPolarHBondContact O-CA 2.96Å; E306-K309 WeakPolarHBondContact O-CB 3.44Å; E306-K309 PolarHBondContact O-N 3.32Å; E306-K309 VanDerWaalsContact O-N 3.09Å; Q307-K309 VanDerWaalsContact C-N 3.3Å; Q307-K309 PolarHBondContact O-N 2.85Å; K309-L311 VanDerWaalsContact C-N 3.34Å; K309-L311 PolarHBondContact O-N 3.48Å; K309-F312 PolarHBondContact O-N 2.87Å; K309-Q313 WeakPolarHBondContact O-CB 3.34Å; K309-Q313 PolarHBondContact O-N 2.82Å; K309-V318 HydrophobicContact CG-CB 4.27Å; K309-V318 HydrophobicContact CG-CG1 4.36Å; K309-I321 HydrophobicContact CB-CD1 3.61Å; K309-I321 HydrophobicContact CG-CD1 4.25Å |
| 310 | E | 88.8 | Confident | 86.9 | Confident | 158 Ų | 158 | 71.8 Ų | 71.8 | 74% | 0.738 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -58.1 | -44 | 179.7 | -169.1 | 172.5 | -163.4 | 0 | 0 | 112.1 | E306 Q307 F312 | E306-E310 PolarHBondContact O-N 3.18Å; Q307-E310 PolarHBondContact O-N 2.79Å; E310-F312 PolarHBondContact O-N 2.82Å |
| 311 | L | 88 | Confident | 87.3 | Confident | 40 Ų | 40 | 73 Ų | 73 | 21% | 0.209 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63.2 | -37.3 | 177.9 | -85.4 | 158.6 | 0 | 0 | 0 | 114.7 | Q307 L308 K309 R314 V356 | Q307-L311 WeakPolarHBondContact O-CB 3.33Å; Q307-L311 WeakPolarHBondContact O-CD1 3.03Å; Q307-L311 WeakPolarHBondContact O-CG 3.34Å; Q307-L311 PolarHBondContact O-N 3.18Å; L308-L311 PolarHBondContact O-N 2.87Å; K309-L311 VanDerWaalsContact C-N 3.34Å; K309-L311 PolarHBondContact O-N 3.48Å; L311-R314 PolarHBondContact O-NE 2.91Å; L311-R314 PolarHBondContact O-NH2 3.46Å; L311-V356 HydrophobicContact CD1-CG2 3.36Å |
| 312 | F | 89.3 | Confident | 87.8 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -94.9 | -22.3 | -177.1 | -75.9 | -66.1 | 0 | 0 | 0 | 113.1 | L294 V296 L308 K309 E310 R314 H315 V318 V336 Y338 Y354 L361 V363 | L294-F312 HydrophobicContact CD1-CD1 3.83Å; L294-F312 HydrophobicContact CD1-CE1 3.83Å; V296-F312 HydrophobicContact CG1-CE2 4.17Å; V296-F312 HydrophobicContact CG1-CZ 4.09Å; V296-F312 HydrophobicContact CG2-CE1 4.44Å; V296-F312 HydrophobicContact CG2-CE2 3.82Å; V296-F312 HydrophobicContact CG2-CZ 3.65Å; L308-F312 HydrophobicContact CD2-CE2 4.15Å; L308-F312 WeakPolarHBondContact O-CB 3.42Å; L308-F312 VanDerWaalsContact O-CD2 3.23Å; L308-F312 WeakPolarHBondContact O-CD2 3.3Å; L308-F312 PolarHBondContact O-N 2.81Å; K309-F312 PolarHBondContact O-N 2.87Å; E310-F312 PolarHBondContact O-N 2.82Å; F312-R314 PolarHBondContact O-N 3.02Å; F312-H315 PolarHBondContact O-N 2.9Å; F312-V318 HydrophobicContact CB-CG2 4.03Å; F312-V336 HydrophobicContact CB-CG1 3.91Å; F312-V336 HydrophobicContact CD2-CG1 4.28Å; F312-V336 HydrophobicContact CD2-CG2 3.81Å; F312-V336 HydrophobicContact CE2-CG2 4.12Å; F312-V336 HydrophobicContact CG-CG1 4.11Å; F312-V336 HydrophobicContact CG-CG2 4.4Å; F312-Y338 WeakPolarHBondContact CB-OH 3.42Å; F312-Y338 WeakPolarHBondContact O-CE1 3.27Å; F312-Y338 PolarHBondContact O-OH 3.05Å; F312-Y354 HydrophobicContact CD1-CD1 4.32Å; F312-Y354 AromaticContact CD1-CE1 3.84Å; F312-Y354 HydrophobicContact CD1-CE1 3.84Å; F312-Y354 AromaticContact CE1-CD1 3.72Å; F312-Y354 HydrophobicContact CE1-CD1 3.72Å; F312-Y354 HydrophobicContact CE1-CD2 4.49Å; F312-Y354 AromaticContact CE1-CE1 3.53Å; F312-Y354 HydrophobicContact CE1-CE1 3.53Å; F312-Y354 HydrophobicContact CE1-CE2 4.31Å; F312-Y354 HydrophobicContact CE1-CG 4.24Å; F312-Y354 AromaticContact CE1-CZ 3.85Å; F312-Y354 HydrophobicContact CZ-CD1 4.02Å; F312-Y354 HydrophobicContact CZ-CE1 4.3Å; F312-Y354 HydrophobicContact CZ-CG 4.34Å; F312-L361 HydrophobicContact CE2-CD1 4.4Å; F312-L361 HydrophobicContact CZ-CD1 4.4Å; F312-V363 HydrophobicContact CE1-CG1 4.09Å; F312-V363 HydrophobicContact CE1-CG2 4Å; F312-V363 HydrophobicContact CZ-CG1 4.49Å; F312-V363 HydrophobicContact CZ-CG2 3.78Å |
| 313 | Q | 90.1 | Very high | 88.2 | Confident | 100 Ų | 100 | 65.5 Ų | 65.5 | 47% | 0.467 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65 | -18.3 | 178.8 | -175.4 | 165.4 | -11.7 | 0 | 0 | 113 | K309 H315 G316 V318 | K309-Q313 WeakPolarHBondContact O-CB 3.34Å; K309-Q313 PolarHBondContact O-N 2.82Å; Q313-H315 PolarHBondContact O-N 3.28Å; Q313-G316 CarbonylContact C-O 3.58Å; Q313-G316 WeakPolarHBondContact CA-O 3.04Å; Q313-G316 PolarHBondContact O-N 3.4Å; Q313-V318 HydrophobicContact CB-CG2 4.37Å |
| 314 | R | 87.6 | Confident | 88.3 | Confident | 118 Ų | 118 | 66.5 Ų | 66.5 | 45% | 0.445 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -27.3 | 172.8 | 82.5 | 179.1 | 113.1 | 158.8 | 0.3 | 114 | L311 F312 E352 Y354 | L311-R314 PolarHBondContact O-NE 2.91Å; L311-R314 PolarHBondContact O-NH2 3.46Å; F312-R314 PolarHBondContact O-N 3.02Å; R314-E352 IonicContact CZ-OE2 2.58Å; R314-E352 IonicContact NH1-OE2 3.01Å; R314-E352 PolarHBondContact NH1-OE2 3.08Å; R314-Y354 VanDerWaalsContact NH2-CE1 3.28Å |
| 315 | H | 86.7 | Confident | 87.7 | Confident | 17 Ų | 17 | 69.8 Ų | 69.8 | 8% | 0.079 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -10.6 | -179.6 | -52 | -84.7 | 0 | 0 | 0 | 113.1 | F312 Q313 S343 K346 A347 D350 Y354 | F312-H315 PolarHBondContact O-N 2.9Å; Q313-H315 PolarHBondContact O-N 3.28Å; H315-S343 WeakPolarHBondContact O-CB 3.48Å; H315-S343 PolarHBondContact O-OG 3.06Å; H315-K346 HydrophobicContact CB-CB 4.18Å; H315-A347 HydrophobicContact CB-CB 4.11Å; H315-D350 IonicContact CE1-OD2 3.79Å; H315-D350 PolarHBondContact CE1-OD2 3.09Å; H315-D350 IonicContact ND1-OD2 2.68Å; H315-D350 PolarHBondContact ND1-OD2 2.92Å; H315-Y354 PolarHBondContact CD2-OH 2.87Å; H315-Y354 VanDerWaalsContact CD2-OH 3.3Å; H315-Y354 PolarHBondContact CE1-OH 3.49Å; H315-Y354 VanDerWaalsContact CE1-OH 3.22Å; H315-Y354 AromaticContact NE2-CE1 3.52Å; H315-Y354 AromaticContact NE2-CZ 3.5Å; H315-Y354 PolarHBondContact NE2-OH 2.75Å |
| 316 | G | 88 | Confident | 86.7 | Confident | 21 Ų | 21 | 66.9 Ų | 66.9 | 22% | 0.216 | 34% | 0.339 | C | S | . | . | S | Bend | trans | 152.5 | -177.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q313 V318 Y338 | Q313-G316 CarbonylContact C-O 3.58Å; Q313-G316 WeakPolarHBondContact CA-O 3.04Å; Q313-G316 PolarHBondContact O-N 3.4Å; G316-V318 PolarHBondContact O-N 3.15Å; G316-Y338 WeakPolarHBondContact O-CE1 3.41Å |
| 317 | E | 91.7 | Very high | 85.1 | Confident | 133 Ų | 133 | 70.6 Ų | 70.6 | 62% | 0.621 | 35% | 0.353 | S | S | * | . | trans | -70.4 | 120.4 | -174.9 | -174 | 176.7 | 178.5 | 0 | 0 | 113.4 | Y338 A339 | E317-Y338 CarbonylContact O-C 3.58Å; E317-Y338 VanDerWaalsContact O-CA 3.24Å; E317-Y338 WeakPolarHBondContact O-CA 3.23Å; E317-Y338 WeakPolarHBondContact O-CD1 3.49Å; E317-A339 HydrophobicContact CB-CB 4.2Å; E317-A339 PolarHBondContact O-N 3.01Å | ||
| 318 | V | 92.5 | Very high | 83.9 | Confident | 7 Ų | 7 | 70.8 Ų | 70.8 | 4% | 0.042 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 112.2 | 176.2 | 177.5 | 0 | 0 | 0 | 0 | 110.2 | K309 F312 Q313 G316 I321 V336 H337 Y338 | K309-V318 HydrophobicContact CG-CB 4.27Å; K309-V318 HydrophobicContact CG-CG1 4.36Å; F312-V318 HydrophobicContact CB-CG2 4.03Å; Q313-V318 HydrophobicContact CB-CG2 4.37Å; G316-V318 PolarHBondContact O-N 3.15Å; V318-I321 HydrophobicContact CG1-CD1 3.99Å; V318-I321 HydrophobicContact CG1-CG1 3.7Å; V318-V336 HydrophobicContact CG1-CG1 3.72Å; V318-V336 HydrophobicContact CG2-CG1 4.04Å; V318-H337 CarbonylContact C-O 3.5Å; V318-H337 WeakPolarHBondContact CA-O 3.21Å; V318-Y338 HydrophobicContact CG2-CD1 4.04Å; V318-Y338 HydrophobicContact CG2-CE1 3.68Å |
| 319 | T | 90.7 | Very high | 82.6 | Confident | 84 Ų | 84 | 73.1 Ų | 73.1 | 52% | 0.515 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | -35.8 | -176.7 | 52.1 | 0 | 0 | 0 | 0 | 113.1 | H337 A339 | T319-H337 PolarHBondContact N-O 2.72Å; T319-H337 PolarHBondContact OG1-O 2.77Å; T319-A339 HydrophobicContact CG2-CB 3.81Å |
| 320 | K | 89.9 | Confident | 81.3 | Confident | 127 Ų | 127 | 75.3 Ų | 75.3 | 55% | 0.552 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 140.5 | -176.8 | -169.5 | 177.6 | -175.6 | 173.5 | 0 | 111.7 | V322 H337 | K320-V322 HydrophobicContact CD-CG2 4.11Å; K320-V322 HydrophobicContact CG-CG2 4.01Å; K320-H337 HydrophobicContact CB-CB 4Å; K320-H337 PolarHBondContact N-O 3.17Å; K320-H337 PolarHBondContact O-N 2.63Å |
| 321 | I | 91.3 | Very high | 80.4 | Confident | 34 Ų | 34 | 73.5 Ų | 73.5 | 17% | 0.174 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 132.6 | 169.8 | -59.7 | 176.1 | 0 | 0 | 0 | 108.2 | T305 L308 K309 V318 F335 V336 | T305-I321 HydrophobicContact CG2-CG2 4.06Å; T305-I321 VanDerWaalsContact O-CD1 3.27Å; T305-I321 WeakPolarHBondContact O-CD1 3.44Å; L308-I321 HydrophobicContact CB-CD1 4.04Å; L308-I321 HydrophobicContact CD1-CG2 4.25Å; K309-I321 HydrophobicContact CB-CD1 3.61Å; K309-I321 HydrophobicContact CG-CD1 4.25Å; V318-I321 HydrophobicContact CG1-CD1 3.99Å; V318-I321 HydrophobicContact CG1-CG1 3.7Å; I321-F335 WeakPolarHBondContact CA-O 3.41Å; I321-V336 HydrophobicContact CG1-CG1 4.39Å; I321-V336 HydrophobicContact CG1-CG2 4.41Å |
| 322 | V | 88.1 | Confident | 80.1 | Confident | 51 Ų | 51 | 75.4 Ų | 75.4 | 31% | 0.309 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 117 | 179.3 | -174.9 | 0 | 0 | 0 | 0 | 108.3 | K320 P324 G334 F335 | K320-V322 HydrophobicContact CD-CG2 4.11Å; K320-V322 HydrophobicContact CG-CG2 4.01Å; V322-P324 HydrophobicContact CG1-CG 4.24Å; V322-P324 WeakPolarHBondContact O-CD 3.26Å; V322-G334 CarbonylContact O-C 3.46Å; V322-G334 WeakPolarHBondContact O-CA 3.26Å; V322-F335 HydrophobicContact CB-CB 4.43Å; V322-F335 PolarHBondContact N-O 3.31Å; V322-F335 PolarHBondContact O-N 2.83Å |
| 323 | T | 86.1 | Confident | 80.1 | Confident | 37 Ų | 37 | 77.7 Ų | 77.7 | 23% | 0.227 | 42% | 0.416 | C | S | . | . | trans | -116.4 | 88 | 178.1 | -19 | 0 | 0 | 0 | 0 | 108.6 | I299 F333 | I299-T323 HydrophobicContact CD1-CG2 4.12Å; T323-F333 WeakPolarHBondContact CG2-O 3.4Å | ||
| 324 | P | 81.7 | Confident | 80.1 | Confident | 35 Ų | 35 | 73 Ų | 73 | 23% | 0.227 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 146 | -177.3 | -21.8 | 35.1 | 0 | 0 | 0 | 111.4 | V322 G326 F333 F335 | V322-P324 HydrophobicContact CG1-CG 4.24Å; V322-P324 WeakPolarHBondContact O-CD 3.26Å; P324-G326 PolarHBondContact O-N 3.02Å; P324-F333 HydrophobicContact CB-CE2 4.08Å; P324-F333 HydrophobicContact CB-CZ 4.09Å; P324-F333 HydrophobicContact CG-CE2 3.8Å; P324-F333 HydrophobicContact CG-CZ 4.32Å; P324-F335 HydrophobicContact CG-CD2 4.35Å; P324-F335 HydrophobicContact CG-CE2 4.2Å |
| 325 | P | 72.5 | Confident | 80.3 | Confident | 112 Ų | 112 | 69.4 Ų | 69.4 | 73% | 0.727 | 38% | 0.382 | S | S | * | . | P | Polyproline II helix | trans | -66.1 | 121 | 168.3 | 27.9 | -32.4 | 0 | 0 | 0 | 109.5 | ||
| 326 | G | 64.5 | Low | 80.6 | Confident | 11 Ų | 11 | 68.7 Ų | 68.7 | 11% | 0.113 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -71.3 | 163.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | P324 G328 G329 K330 | P324-G326 PolarHBondContact O-N 3.02Å; G326-G328 PolarHBondContact O-N 2.77Å; G326-G329 PolarHBondContact O-N 2.85Å; G326-K330 WeakPolarHBondContact CA-O 3.47Å; G326-K330 PolarHBondContact N-O 3.31Å |
| 327 | K | 54.7 | Low | 80.8 | Confident | 228 Ų | 228 | 70.7 Ų | 70.7 | 99% | 0.991 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | 107.1 | 174.7 | -81 | -174.6 | 174.5 | -179.9 | 0 | 109.7 | ||
| 328 | G | 62.3 | Low | 80.8 | Confident | 79 Ų | 79 | 64.6 Ų | 64.6 | 81% | 0.814 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 106 | 11.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115 | G326 K330 | G326-G328 PolarHBondContact O-N 2.77Å; G328-K330 VanDerWaalsContact C-N 3.31Å; G328-K330 PolarHBondContact O-N 3Å |
| 329 | G | 59.9 | Low | 80.7 | Confident | 51 Ų | 51 | 66 Ų | 66 | 53% | 0.526 | 37% | 0.366 | S | S | . | . | S | Bend | trans | 88.9 | -16.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | G326 | G326-G329 PolarHBondContact O-N 2.85Š|
| 330 | K | 62.4 | Low | 80.6 | Confident | 139 Ų | 139 | 67.4 Ų | 67.4 | 60% | 0.604 | 37% | 0.367 | S | S | * | . | trans | -68.3 | 140 | 175.9 | -61.4 | -173.5 | 177.2 | -173.1 | 0 | 110.9 | E301 G326 G328 | E301-K330 WeakPolarHBondContact OE1-CA 3.44Å; G326-K330 WeakPolarHBondContact CA-O 3.47Å; G326-K330 PolarHBondContact N-O 3.31Å; G328-K330 VanDerWaalsContact C-N 3.31Å; G328-K330 PolarHBondContact O-N 3Å | ||
| 331 | R | 70.2 | Confident | 80.5 | Confident | 119 Ų | 119 | 65.7 Ų | 65.7 | 45% | 0.449 | 36% | 0.357 | S | S | . | . | trans | -104.5 | 66.9 | 176.2 | -66.2 | -177.7 | -65.1 | -145 | -0.7 | 110.1 | I299 E301 | I299-R331 VanDerWaalsContact O-O 3.13Å; E301-R331 PolarHBondContact O-NH2 3.09Å | ||
| 332 | D | 81.1 | Confident | 80.4 | Confident | 80 Ų | 80 | 66.1 Ų | 66.1 | 43% | 0.428 | 36% | 0.363 | S | S | . | . | trans | -86.5 | -8.5 | -172.3 | 58.8 | -36.8 | 0 | 0 | 0 | 114.3 | K297 N298 I299 | K297-D332 CarbonylContact C-O 3.54Å; N298-D332 PolarHBondContact N-O 3.21Å; I299-D332 PolarHBondContact N-O 2.67Å; I299-D332 VanDerWaalsContact N-O 3.15Å | ||
| 333 | F | 89.1 | Confident | 80.5 | Confident | 48 Ų | 48 | 64 Ų | 64 | 21% | 0.211 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 161.9 | 175.7 | 70.4 | -84 | 0 | 0 | 0 | 113.4 | Y295 V296 T323 P324 F335 | Y295-F333 HydrophobicContact CE2-CB 3.77Å; Y295-F333 AromaticContact CE2-CD2 3.73Å; Y295-F333 HydrophobicContact CE2-CD2 3.73Å; Y295-F333 AromaticContact CE2-CG 4Å; Y295-F333 HydrophobicContact CE2-CG 4Å; V296-F333 CarbonylContact O-C 3.5Å; V296-F333 WeakPolarHBondContact O-CA 3.26Å; V296-F333 WeakPolarHBondContact O-CB 3.23Å; T323-F333 WeakPolarHBondContact CG2-O 3.4Å; P324-F333 HydrophobicContact CB-CE2 4.08Å; P324-F333 HydrophobicContact CB-CZ 4.09Å; P324-F333 HydrophobicContact CG-CE2 3.8Å; P324-F333 HydrophobicContact CG-CZ 4.32Å; F333-F335 HydrophobicContact CD2-CE2 4.18Å; F333-F335 HydrophobicContact CE2-CE2 4.06Å |
| 334 | G | 90.4 | Very high | 80.6 | Confident | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.01 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.1 | 176.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | V296 V322 | V296-G334 PolarHBondContact N-O 3.49Å; V296-G334 PolarHBondContact O-N 2.8Å; V322-G334 CarbonylContact O-C 3.46Å; V322-G334 WeakPolarHBondContact O-CA 3.26Å |
| 335 | F | 92.5 | Very high | 80.9 | Confident | 43 Ų | 43 | 64 Ų | 64 | 19% | 0.189 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 136 | 179 | -60 | -87.4 | 0 | 0 | 0 | 110.2 | L294 Y295 I321 V322 P324 F333 A366 | L294-F335 WeakPolarHBondContact O-CA 3.38Å; Y295-F335 HydrophobicContact CD2-CD1 4.23Å; Y295-F335 AromaticContact CD2-CE1 3.65Å; Y295-F335 HydrophobicContact CD2-CE1 3.65Å; Y295-F335 AromaticContact CD2-CZ 3.89Å; Y295-F335 HydrophobicContact CD2-CZ 3.89Å; Y295-F335 HydrophobicContact CE2-CZ 4.33Å; Y295-F335 HydrophobicContact CG-CE1 4.45Å; I321-F335 WeakPolarHBondContact CA-O 3.41Å; V322-F335 HydrophobicContact CB-CB 4.43Å; V322-F335 PolarHBondContact N-O 3.31Å; V322-F335 PolarHBondContact O-N 2.83Å; P324-F335 HydrophobicContact CG-CD2 4.35Å; P324-F335 HydrophobicContact CG-CE2 4.2Å; F333-F335 HydrophobicContact CD2-CE2 4.18Å; F333-F335 HydrophobicContact CE2-CE2 4.06Å; F335-A366 HydrophobicContact CD1-CB 4.14Å; F335-A366 HydrophobicContact CE1-CB 4.43Å |
| 336 | V | 92.5 | Very high | 81.6 | Confident | 2 Ų | 2 | 64.1 Ų | 64.1 | 1% | 0.012 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 114.3 | -179.9 | -179.5 | 0 | 0 | 0 | 0 | 108.2 | A293 L294 V296 F312 V318 I321 Y338 | A293-V336 CarbonylContact C-O 3.45Å; A293-V336 VanDerWaalsContact CA-O 3.26Å; A293-V336 WeakPolarHBondContact CA-O 3.22Å; L294-V336 HydrophobicContact CB-CB 4.34Å; L294-V336 PolarHBondContact N-O 2.85Å; L294-V336 PolarHBondContact O-N 3.18Å; V296-V336 HydrophobicContact CG2-CG2 3.92Å; F312-V336 HydrophobicContact CB-CG1 3.91Å; F312-V336 HydrophobicContact CD2-CG1 4.28Å; F312-V336 HydrophobicContact CD2-CG2 3.81Å; F312-V336 HydrophobicContact CE2-CG2 4.12Å; F312-V336 HydrophobicContact CG-CG1 4.11Å; F312-V336 HydrophobicContact CG-CG2 4.4Å; V318-V336 HydrophobicContact CG1-CG1 3.72Å; V318-V336 HydrophobicContact CG2-CG1 4.04Å; I321-V336 HydrophobicContact CG1-CG1 4.39Å; I321-V336 HydrophobicContact CG1-CG2 4.41Å; V336-Y338 HydrophobicContact CG1-CE2 4.46Å |
| 337 | H | 91.8 | Very high | 82.7 | Confident | 64 Ų | 64 | 63.7 Ų | 63.7 | 30% | 0.296 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 133.4 | 179.6 | -61.1 | -115 | 0 | 0 | 0 | 109.9 | V318 T319 K320 | V318-H337 CarbonylContact C-O 3.5Å; V318-H337 WeakPolarHBondContact CA-O 3.21Å; T319-H337 PolarHBondContact N-O 2.72Å; T319-H337 PolarHBondContact OG1-O 2.77Å; K320-H337 HydrophobicContact CB-CB 4Å; K320-H337 PolarHBondContact N-O 3.17Å; K320-H337 PolarHBondContact O-N 2.63Å |
| 338 | Y | 93.2 | Very high | 84.2 | Confident | 4 Ų | 4 | 55.5 Ų | 55.5 | 2% | 0.016 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 159.7 | 170.9 | -73 | -83.5 | 0 | 0 | 0 | 111.8 | K292 L294 F312 G316 E317 V318 V336 E340 A344 A347 | K292-Y338 PolarHBondContact O-N 2.82Å; L294-Y338 HydrophobicContact CD1-CE2 3.71Å; L294-Y338 HydrophobicContact CG-CE2 3.98Å; F312-Y338 WeakPolarHBondContact CB-OH 3.42Å; F312-Y338 WeakPolarHBondContact O-CE1 3.27Å; F312-Y338 PolarHBondContact O-OH 3.05Å; G316-Y338 WeakPolarHBondContact O-CE1 3.41Å; E317-Y338 CarbonylContact O-C 3.58Å; E317-Y338 VanDerWaalsContact O-CA 3.24Å; E317-Y338 WeakPolarHBondContact O-CA 3.23Å; E317-Y338 WeakPolarHBondContact O-CD1 3.49Å; V318-Y338 HydrophobicContact CG2-CD1 4.04Å; V318-Y338 HydrophobicContact CG2-CE1 3.68Å; V336-Y338 HydrophobicContact CG1-CE2 4.46Å; Y338-E340 VanDerWaalsContact C-N 3.33Å; Y338-E340 VanDerWaalsContact CB-O 3.27Å; Y338-E340 WeakPolarHBondContact CB-O 3.38Å; Y338-A344 HydrophobicContact CD2-CB 3.84Å; Y338-A344 HydrophobicContact CE2-CB 4.38Å; Y338-A347 HydrophobicContact CE2-CB 4.35Å |
| 339 | A | 89.5 | Confident | 85.1 | Confident | 36 Ų | 36 | 60.7 Ų | 60.7 | 30% | 0.298 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -66.2 | -37 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | K292 E317 T319 | K292-A339 WeakPolarHBondContact CD-O 3.47Å; K292-A339 WeakPolarHBondContact CE-O 3.1Å; K292-A339 PolarHBondContact NZ-O 2.84Å; E317-A339 HydrophobicContact CB-CB 4.2Å; E317-A339 PolarHBondContact O-N 3.01Å; T319-A339 HydrophobicContact CG2-CB 3.81Å |
| 340 | E | 88.3 | Confident | 85.4 | Confident | 115 Ų | 115 | 61.7 Ų | 61.7 | 54% | 0.537 | 29% | 0.294 | S | S | . | . | trans | -118.9 | 147.7 | -178 | -65 | -175.2 | -158.8 | 0 | 0 | 113 | Y338 S342 | Y338-E340 VanDerWaalsContact C-N 3.33Å; Y338-E340 VanDerWaalsContact CB-O 3.27Å; Y338-E340 WeakPolarHBondContact CB-O 3.38Å; E340-S342 VanDerWaalsContact C-N 3.31Å; E340-S342 VanDerWaalsContact CB-OG 3.27Å; E340-S342 WeakPolarHBondContact CB-OG 3.36Å; E340-S342 PolarHBondContact OE2-OG 2.98Å | ||
| 341 | R | 88.9 | Confident | 85.3 | Confident | 90 Ų | 90 | 61.7 Ų | 61.7 | 34% | 0.34 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -68.9 | -30.6 | 171.3 | 179.7 | 174.6 | 176.6 | -138.4 | -4.8 | 112.3 | A289 K292 S343 A344 L345 | A289-R341 WeakPolarHBondContact O-CD 3.3Å; A289-R341 PolarHBondContact O-NE 3.01Å; A289-R341 VanDerWaalsContact O-NE 3.08Å; A289-R341 PolarHBondContact O-NH1 3.37Å; K292-R341 HydrophobicContact CG-CB 4.33Å; R341-S343 VanDerWaalsContact C-N 3.26Å; R341-S343 PolarHBondContact O-N 3.4Å; R341-A344 PolarHBondContact O-N 2.79Å; R341-L345 HydrophobicContact CG-CD1 4.02Å; R341-L345 HydrophobicContact CG-CG 4.19Å; R341-L345 WeakPolarHBondContact O-CG 3.48Å; R341-L345 PolarHBondContact O-N 2.77Å |
| 342 | S | 88.4 | Confident | 85 | Confident | 44 Ų | 44 | 61.2 Ų | 61.2 | 31% | 0.308 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -51.8 | -45.9 | 176.4 | 65.8 | 0 | 0 | 0 | 0 | 111.4 | E340 L345 K346 | E340-S342 VanDerWaalsContact C-N 3.31Å; E340-S342 VanDerWaalsContact CB-OG 3.27Å; E340-S342 WeakPolarHBondContact CB-OG 3.36Å; E340-S342 PolarHBondContact OE2-OG 2.98Å; S342-L345 PolarHBondContact O-N 3.45Å; S342-K346 WeakPolarHBondContact O-CG 3.48Å; S342-K346 PolarHBondContact O-N 2.78Å |
| 343 | S | 90.7 | Very high | 84.8 | Confident | 6 Ų | 6 | 67.1 Ų | 67.1 | 4% | 0.042 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.9 | -42.7 | 179.9 | -49.7 | 0 | 0 | 0 | 0 | 112.6 | H315 R341 K346 A347 | H315-S343 WeakPolarHBondContact O-CB 3.48Å; H315-S343 PolarHBondContact O-OG 3.06Å; R341-S343 VanDerWaalsContact C-N 3.26Å; R341-S343 PolarHBondContact O-N 3.4Å; S343-K346 PolarHBondContact O-N 3.39Å; S343-A347 WeakPolarHBondContact O-CB 3.47Å; S343-A347 PolarHBondContact O-N 3.01Å |
| 344 | A | 88.9 | Confident | 84.5 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.8 | -40.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L294 Y338 R341 A347 V348 L365 | L294-A344 HydrophobicContact CD2-CB 4.09Å; Y338-A344 HydrophobicContact CD2-CB 3.84Å; Y338-A344 HydrophobicContact CE2-CB 4.38Å; R341-A344 PolarHBondContact O-N 2.79Å; A344-A347 PolarHBondContact O-N 2.79Å; A344-V348 PolarHBondContact O-N 3.25Å; A344-L365 HydrophobicContact CB-CD2 4.37Å |
| 345 | L | 86.9 | Confident | 84.2 | Confident | 72 Ų | 72 | 70.4 Ų | 70.4 | 38% | 0.377 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -67.6 | -40.9 | 176.2 | -71 | 173.1 | 0 | 0 | 0 | 112.3 | R341 S342 V348 K349 L365 | R341-L345 HydrophobicContact CG-CD1 4.02Å; R341-L345 HydrophobicContact CG-CG 4.19Å; R341-L345 WeakPolarHBondContact O-CG 3.48Å; R341-L345 PolarHBondContact O-N 2.77Å; S342-L345 PolarHBondContact O-N 3.45Å; L345-V348 PolarHBondContact O-N 3.27Å; L345-K349 WeakPolarHBondContact O-CB 3.3Å; L345-K349 PolarHBondContact O-N 3.06Å; L345-L365 HydrophobicContact CD2-CD1 4.13Å |
| 346 | K | 87.4 | Confident | 83.6 | Confident | 115 Ų | 115 | 68.8 Ų | 68.8 | 50% | 0.5 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -56.5 | -51.1 | 172.5 | -74.7 | 169.1 | -176.6 | 172.2 | 0 | 110.7 | H315 S342 S343 V348 K349 D350 | H315-K346 HydrophobicContact CB-CB 4.18Å; S342-K346 WeakPolarHBondContact O-CG 3.48Å; S342-K346 PolarHBondContact O-N 2.78Å; S343-K346 PolarHBondContact O-N 3.39Å; K346-V348 PolarHBondContact O-N 3.45Å; K346-K349 PolarHBondContact O-N 3.44Å; K346-K349 VanDerWaalsContact O-N 3.16Å; K346-D350 WeakPolarHBondContact O-CB 3.17Å; K346-D350 PolarHBondContact O-N 2.9Å |
| 347 | A | 87.4 | Confident | 82.9 | Confident | 1 Ų | 1 | 74 Ų | 74 | 1% | 0.008 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -65 | -19.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | L294 H315 Y338 S343 A344 Y354 | L294-A347 HydrophobicContact CD1-CB 3.76Å; H315-A347 HydrophobicContact CB-CB 4.11Å; Y338-A347 HydrophobicContact CE2-CB 4.35Å; S343-A347 WeakPolarHBondContact O-CB 3.47Å; S343-A347 PolarHBondContact O-N 3.01Å; A344-A347 PolarHBondContact O-N 2.79Å; A347-Y354 VanDerWaalsContact CA-OH 3.23Å; A347-Y354 WeakPolarHBondContact CA-OH 3.17Å; A347-Y354 WeakPolarHBondContact CB-OH 3.36Å; A347-Y354 WeakPolarHBondContact O-CE2 3.47Å; A347-Y354 PolarHBondContact O-OH 3.02Å |
| 348 | V | 86.8 | Confident | 82.3 | Confident | 57 Ų | 57 | 73.9 Ų | 73.9 | 35% | 0.345 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -95.6 | -29.9 | 173.5 | 175.8 | 0 | 0 | 0 | 0 | 112 | L294 A344 L345 K346 V363 L365 | L294-V348 HydrophobicContact CD2-CG2 3.47Å; L294-V348 VanDerWaalsContact CD2-CG2 3.47Å; A344-V348 PolarHBondContact O-N 3.25Å; L345-V348 PolarHBondContact O-N 3.27Å; K346-V348 PolarHBondContact O-N 3.45Å; V348-V363 HydrophobicContact CG2-CG1 4.31Å; V348-L365 HydrophobicContact CG2-CG 4.34Å |
| 349 | K | 80.6 | Confident | 81.6 | Confident | 187 Ų | 187 | 77.7 Ų | 77.7 | 81% | 0.813 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -82.5 | -27.6 | -179.4 | -170 | 175.4 | -179.3 | -178.5 | 0 | 112.6 | L345 K346 T351 | L345-K349 WeakPolarHBondContact O-CB 3.3Å; L345-K349 PolarHBondContact O-N 3.06Å; K346-K349 PolarHBondContact O-N 3.44Å; K346-K349 VanDerWaalsContact O-N 3.16Å; K349-T351 PolarHBondContact O-N 3.21Å |
| 350 | D | 67.4 | Low | 81.5 | Confident | 72 Ų | 72 | 78.9 Ų | 78.9 | 39% | 0.385 | 40% | 0.401 | S | S | . | . | trans | -62.4 | 119.1 | 171.7 | -88.1 | -41.1 | 0 | 0 | 0 | 109.9 | H315 K346 E352 | H315-D350 IonicContact CE1-OD2 3.79Å; H315-D350 PolarHBondContact CE1-OD2 3.09Å; H315-D350 IonicContact ND1-OD2 2.68Å; H315-D350 PolarHBondContact ND1-OD2 2.92Å; K346-D350 WeakPolarHBondContact O-CB 3.17Å; K346-D350 PolarHBondContact O-N 2.9Å; D350-E352 PolarHBondContact O-N 3.47Å; D350-E352 VanDerWaalsContact O-N 3.09Å | ||
| 351 | T | 58.7 | Low | 81.5 | Confident | 140 Ų | 140 | 74.1 Ų | 74.1 | 86% | 0.859 | 38% | 0.379 | S | S | * | . | trans | -70.7 | 4.8 | 174.3 | 40.6 | 0 | 0 | 0 | 0 | 113.5 | K349 R353 | K349-T351 PolarHBondContact O-N 3.21Å; T351-R353 PolarHBondContact O-N 2.77Å | ||
| 352 | E | 65.4 | Low | 81.4 | Confident | 108 Ų | 108 | 74.2 Ų | 74.2 | 51% | 0.505 | 38% | 0.383 | S | S | . | . | trans | -65 | 114.8 | 172.3 | -67.7 | -160.6 | 142 | 0 | 0 | 110.1 | R314 D350 Y354 | R314-E352 IonicContact CZ-OE2 2.58Å; R314-E352 IonicContact NH1-OE2 3.01Å; R314-E352 PolarHBondContact NH1-OE2 3.08Å; D350-E352 PolarHBondContact O-N 3.47Å; D350-E352 VanDerWaalsContact O-N 3.09Å; E352-Y354 WeakPolarHBondContact O-CD2 3.43Å; E352-Y354 PolarHBondContact O-N 3.15Å; E352-Y354 VanDerWaalsContact O-N 3.09Å | ||
| 353 | R | 76 | Confident | 81.5 | Confident | 205 Ų | 205 | 73.4 Ų | 73.4 | 77% | 0.774 | 38% | 0.376 | S | S | * | . | trans | -67.9 | 110.6 | 168.9 | -69.2 | -176.1 | 177.9 | -176.7 | -0.2 | 108.7 | T351 E355 | T351-R353 PolarHBondContact O-N 2.77Å; R353-E355 PolarHBondContact O-N 3.27Å | ||
| 354 | Y | 82.9 | Confident | 81.3 | Confident | 7 Ų | 7 | 76.2 Ų | 76.2 | 3% | 0.027 | 39% | 0.393 | C | S | . | . | trans | -62.8 | 117.5 | 167.9 | -60 | -95.4 | 0 | 0 | 0 | 108.6 | F312 R314 H315 A347 E352 P360 L361 V363 | F312-Y354 HydrophobicContact CD1-CD1 4.32Å; F312-Y354 AromaticContact CD1-CE1 3.84Å; F312-Y354 HydrophobicContact CD1-CE1 3.84Å; F312-Y354 AromaticContact CE1-CD1 3.72Å; F312-Y354 HydrophobicContact CE1-CD1 3.72Å; F312-Y354 HydrophobicContact CE1-CD2 4.49Å; F312-Y354 AromaticContact CE1-CE1 3.53Å; F312-Y354 HydrophobicContact CE1-CE1 3.53Å; F312-Y354 HydrophobicContact CE1-CE2 4.31Å; F312-Y354 HydrophobicContact CE1-CG 4.24Å; F312-Y354 AromaticContact CE1-CZ 3.85Å; F312-Y354 HydrophobicContact CZ-CD1 4.02Å; F312-Y354 HydrophobicContact CZ-CE1 4.3Å; F312-Y354 HydrophobicContact CZ-CG 4.34Å; R314-Y354 VanDerWaalsContact NH2-CE1 3.28Å; H315-Y354 PolarHBondContact CD2-OH 2.87Å; H315-Y354 VanDerWaalsContact CD2-OH 3.3Å; H315-Y354 PolarHBondContact CE1-OH 3.49Å; H315-Y354 VanDerWaalsContact CE1-OH 3.22Å; H315-Y354 AromaticContact NE2-CE1 3.52Å; H315-Y354 AromaticContact NE2-CZ 3.5Å; H315-Y354 PolarHBondContact NE2-OH 2.75Å; A347-Y354 VanDerWaalsContact CA-OH 3.23Å; A347-Y354 WeakPolarHBondContact CA-OH 3.17Å; A347-Y354 WeakPolarHBondContact CB-OH 3.36Å; A347-Y354 WeakPolarHBondContact O-CE2 3.47Å; A347-Y354 PolarHBondContact O-OH 3.02Å; E352-Y354 WeakPolarHBondContact O-CD2 3.43Å; E352-Y354 PolarHBondContact O-N 3.15Å; E352-Y354 VanDerWaalsContact O-N 3.09Å; Y354-P360 CarbonylContact O-C 3.52Å; Y354-P360 WeakPolarHBondContact O-CA 3.22Å; Y354-L361 PolarHBondContact O-N 2.91Å; Y354-V363 HydrophobicContact CD2-CB 4.27Å; Y354-V363 HydrophobicContact CD2-CG2 3.55Å; Y354-V363 HydrophobicContact CE2-CB 4.33Å; Y354-V363 HydrophobicContact CE2-CG1 4.49Å; Y354-V363 HydrophobicContact CE2-CG2 4.01Å; Y354-V363 HydrophobicContact CG-CG2 4.07Å | ||
| 355 | E | 83.6 | Confident | 81.4 | Confident | 111 Ų | 111 | 79 Ų | 79 | 52% | 0.519 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 133.9 | 175.9 | -65.1 | -169.6 | 172.6 | 0 | 0 | 110.3 | R353 Q359 P360 | R353-E355 PolarHBondContact O-N 3.27Å; E355-Q359 WeakPolarHBondContact CA-O 3.39Å; E355-P360 HydrophobicContact CG-CB 4.24Å |
| 356 | V | 81 | Confident | 81.4 | Confident | 8 Ų | 8 | 76 Ų | 76 | 5% | 0.048 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 123.8 | 178.4 | -169 | 0 | 0 | 0 | 0 | 108.7 | P300 T303 L311 G358 Q359 L361 | P300-V356 HydrophobicContact CG-CB 4.07Å; P300-V356 HydrophobicContact CG-CG1 4.27Å; P300-V356 WeakPolarHBondContact CG-O 3.41Å; T303-V356 HydrophobicContact CG2-CG1 3.82Å; L311-V356 HydrophobicContact CD1-CG2 3.36Å; V356-G358 PolarHBondContact O-N 3.45Å; V356-G358 VanDerWaalsContact O-N 3.11Å; V356-Q359 PolarHBondContact N-O 3.01Å; V356-Q359 PolarHBondContact O-N 2.58Å; V356-L361 HydrophobicContact CB-CD2 4.49Å; V356-L361 HydrophobicContact CG2-CD1 3.67Å; V356-L361 HydrophobicContact CG2-CD2 4.12Å; V356-L361 HydrophobicContact CG2-CG 3.94Å |
| 357 | N | 77.8 | Confident | 81.3 | Confident | 111 Ų | 111 | 78.5 Ų | 78.5 | 59% | 0.594 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 30.8 | -174.7 | -57.3 | -49.2 | 0 | 0 | 0 | 113.4 | P300 Q359 | P300-N357 HydrophobicContact CG-CB 4.47Å; N357-Q359 VanDerWaalsContact C-N 3.34Å |
| 358 | G | 77.7 | Confident | 80.6 | Confident | 63 Ų | 63 | 80.2 Ų | 80.2 | 65% | 0.649 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77 | 11.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | V356 | V356-G358 PolarHBondContact O-N 3.45Å; V356-G358 VanDerWaalsContact O-N 3.11Å |
| 359 | Q | 80.4 | Confident | 79.6 | Confident | 84 Ų | 84 | 85.3 Ų | 85.3 | 39% | 0.393 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 127.6 | 170.1 | -56 | -164.5 | -74.1 | 0 | 0 | 110.2 | P300 E355 V356 N357 | P300-Q359 HydrophobicContact CG-CB 4.2Å; P300-Q359 HydrophobicContact CG-CG 4.4Å; E355-Q359 WeakPolarHBondContact CA-O 3.39Å; V356-Q359 PolarHBondContact N-O 3.01Å; V356-Q359 PolarHBondContact O-N 2.58Å; N357-Q359 VanDerWaalsContact C-N 3.34Å |
| 360 | P | 87.3 | Confident | 78.5 | Confident | 60 Ų | 60 | 80.5 Ų | 80.5 | 39% | 0.39 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 129.7 | 175.2 | 29.6 | -33.7 | 0 | 0 | 0 | 110.7 | N298 Y354 E355 | N298-P360 PolarHBondContact ND2-O 2.84Å; Y354-P360 CarbonylContact O-C 3.52Å; Y354-P360 WeakPolarHBondContact O-CA 3.22Å; E355-P360 HydrophobicContact CG-CB 4.24Å |
| 361 | L | 87.5 | Confident | 77.7 | Confident | 15 Ų | 15 | 85.3 Ų | 85.3 | 8% | 0.079 | 45% | 0.45 | C | S | . | . | trans | -81.6 | 144.5 | 171.6 | -50.4 | -176.9 | 0 | 0 | 0 | 110.1 | V296 K297 N298 I299 L308 F312 Y354 V356 V363 | V296-L361 HydrophobicContact CG1-CB 4.12Å; V296-L361 HydrophobicContact CG1-CD1 3.79Å; V296-L361 HydrophobicContact CG1-CG 4.42Å; K297-L361 WeakPolarHBondContact O-CA 3.4Å; N298-L361 WeakPolarHBondContact O-CD2 3.41Å; I299-L361 HydrophobicContact CG1-CD2 4.33Å; L308-L361 HydrophobicContact CD2-CD1 4.24Å; F312-L361 HydrophobicContact CE2-CD1 4.4Å; F312-L361 HydrophobicContact CZ-CD1 4.4Å; Y354-L361 PolarHBondContact O-N 2.91Å; V356-L361 HydrophobicContact CB-CD2 4.49Å; V356-L361 HydrophobicContact CG2-CD1 3.67Å; V356-L361 HydrophobicContact CG2-CD2 4.12Å; V356-L361 HydrophobicContact CG2-CG 3.94Å; L361-V363 HydrophobicContact CB-CG2 4.29Å | ||
| 362 | E | 86.8 | Confident | 76.9 | Confident | 92 Ų | 92 | 90.1 Ų | 90.1 | 43% | 0.43 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 113.2 | 171.2 | -179.8 | -178 | 153.9 | 0 | 0 | 108 | V296 K297 V364 | V296-E362 CarbonylContact C-O 3.52Å; V296-E362 WeakPolarHBondContact CA-O 3.39Å; K297-E362 HydrophobicContact CB-CB 4.14Å; K297-E362 HydrophobicContact CG-CB 4.46Å; K297-E362 PolarHBondContact N-O 2.81Å; K297-E362 IonicContact NZ-OE1 3.28Å; K297-E362 PolarHBondContact NZ-OE1 2.89Å; K297-E362 IonicContact NZ-OE2 3.93Å; K297-E362 PolarHBondContact NZ-OE2 2.75Å; K297-E362 PolarHBondContact O-N 2.88Å; E362-V364 HydrophobicContact CG-CG2 4.39Å |
| 363 | V | 89.5 | Confident | 75.5 | Confident | 27 Ų | 27 | 93.5 Ų | 93.5 | 16% | 0.164 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 125.1 | -173.7 | -177.1 | 0 | 0 | 0 | 0 | 109.5 | L294 V296 F312 V348 Y354 L361 | L294-V363 HydrophobicContact CB-CG1 4.44Å; L294-V363 HydrophobicContact CD1-CG1 3.75Å; L294-V363 HydrophobicContact CD2-CG1 4.44Å; L294-V363 HydrophobicContact CG-CG1 4.45Å; V296-V363 HydrophobicContact CG1-CG2 4.41Å; V296-V363 HydrophobicContact CG2-CG2 4.49Å; F312-V363 HydrophobicContact CE1-CG1 4.09Å; F312-V363 HydrophobicContact CE1-CG2 4Å; F312-V363 HydrophobicContact CZ-CG1 4.49Å; F312-V363 HydrophobicContact CZ-CG2 3.78Å; V348-V363 HydrophobicContact CG2-CG1 4.31Å; Y354-V363 HydrophobicContact CD2-CB 4.27Å; Y354-V363 HydrophobicContact CD2-CG2 3.55Å; Y354-V363 HydrophobicContact CE2-CB 4.33Å; Y354-V363 HydrophobicContact CE2-CG1 4.49Å; Y354-V363 HydrophobicContact CE2-CG2 4.01Å; Y354-V363 HydrophobicContact CG-CG2 4.07Å; L361-V363 HydrophobicContact CB-CG2 4.29Å |
| 364 | V | 88.5 | Confident | 73.7 | Confident | 65 Ų | 65 | 90 Ų | 90 | 39% | 0.394 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 157.1 | -178.1 | -159.7 | 0 | 0 | 0 | 0 | 108.6 | L294 Y295 E362 A366 | L294-V364 CarbonylContact C-O 3.58Å; L294-V364 WeakPolarHBondContact CA-O 3.48Å; Y295-V364 PolarHBondContact N-O 2.89Å; Y295-V364 PolarHBondContact O-N 2.81Å; E362-V364 HydrophobicContact CG-CG2 4.39Å; V364-A366 PolarHBondContact O-N 2.92Å |
| 365 | L | 89.6 | Confident | 71.4 | Confident | 60 Ų | 60 | 95.6 Ų | 95.6 | 31% | 0.314 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.1 | 135 | 167.2 | -84.7 | 164.6 | 0 | 0 | 0 | 110.3 | V291 A344 L345 V348 | V291-L365 HydrophobicContact CB-CD2 4.33Å; V291-L365 HydrophobicContact CG1-CD2 3.79Å; A344-L365 HydrophobicContact CB-CD2 4.37Å; L345-L365 HydrophobicContact CD2-CD1 4.13Å; V348-L365 HydrophobicContact CG2-CG 4.34Å |
| 366 | A | 88.2 | Confident | 69.4 | Low | 8 Ų | 8 | 94.9 Ų | 94.9 | 7% | 0.066 | 49% | 0.493 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 144.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | V291 A293 F335 V364 | V291-A366 HydrophobicContact CG1-CB 4.26Å; V291-A366 WeakPolarHBondContact CG1-O 3.5Å; A293-A366 HydrophobicContact CB-CB 3.85Å; A293-A366 VanDerWaalsContact O-CB 3.22Å; A293-A366 WeakPolarHBondContact O-CB 3.24Å; A293-A366 PolarHBondContact O-N 3.47Å; F335-A366 HydrophobicContact CD1-CB 4.14Å; F335-A366 HydrophobicContact CE1-CB 4.43Å; V364-A366 PolarHBondContact O-N 2.92Å |
| 367 | K | 83.9 | Confident | 67.3 | Low | 167 Ų | 167 | 99 Ų | 99 | 73% | 0.726 | 52% | 0.522 | S | S | * | . | P | Polyproline II helix | trans | -63 | 131.4 | 169.3 | -66.4 | -179.5 | -179.5 | 178.8 | 0 | 108 | Q369 | K367-Q369 PolarHBondContact O-N 3.2Š|
| 368 | P | 72.2 | Confident | 65.3 | Low | 37 Ų | 37 | 98.3 Ų | 98.3 | 24% | 0.24 | 53% | 0.526 | C | S | . | . | P | Polyproline II helix | trans | -57.4 | 116.9 | 176.1 | 22.6 | -31.7 | 0 | 0 | 0 | 108.2 | P282 A287 A288 V291 A370 | P282-P368 WeakPolarHBondContact O-CD 3.36Å; A287-P368 HydrophobicContact CB-CB 3.83Å; A287-P368 HydrophobicContact CB-CG 4.22Å; A288-P368 HydrophobicContact CB-CG 4.47Å; V291-P368 HydrophobicContact CG2-CB 3.81Å; V291-P368 HydrophobicContact CG2-CG 4.34Å; P368-A370 PolarHBondContact O-N 3.48Å |
| 369 | Q | 67.5 | Low | 63.5 | Low | 164 Ų | 164 | 102.5 Ų | 102.5 | 77% | 0.766 | 52% | 0.523 | S | S | * | . | trans | -69.2 | 114 | 164.3 | -64.4 | -164.8 | -0.7 | 0 | 0 | 104.9 | K367 E371 | K367-Q369 PolarHBondContact O-N 3.2Å; Q369-E371 PolarHBondContact O-N 3.41Å | ||
| 370 | A | 56.8 | Low | 61.4 | Low | 86 Ų | 86 | 103.2 Ų | 103.2 | 71% | 0.711 | 54% | 0.538 | S | S | * | . | trans | -51.1 | 121.1 | 163.5 | 0 | 0 | 0 | 0 | 0 | 105.9 | P368 R372 | P368-A370 PolarHBondContact O-N 3.48Å; A370-R372 VanDerWaalsContact C-N 3.32Å; A370-R372 PolarHBondContact O-N 3.3Å | ||
| 371 | E | 50 | Low | 58.9 | Low | 174 Ų | 174 | 106.9 Ų | 106.9 | 81% | 0.813 | 55% | 0.545 | S | S | * | . | trans | -55.9 | 104.2 | 179 | -71.1 | -174.1 | 167.3 | 0 | 0 | 107.2 | Q369 K373 | Q369-E371 PolarHBondContact O-N 3.41Å; E371-K373 PolarHBondContact O-N 3.27Å | ||
| 372 | R | 42 | Very low | 56.6 | Low | 240 Ų | 240 | 108.7 Ų | 108.7 | 91% | 0.906 | 57% | 0.568 | S | S | * | * | trans | -67.8 | 87.9 | 155.3 | -67.4 | -139.9 | -173.4 | -170.1 | 4.5 | 103.8 | A370 H374 | A370-R372 VanDerWaalsContact C-N 3.32Å; A370-R372 PolarHBondContact O-N 3.3Å; R372-H374 PolarHBondContact O-N 3.1Å | ||
| 373 | K | 36.3 | Very low | 54.2 | Low | 180 Ų | 180 | 108.6 Ų | 108.6 | 78% | 0.783 | 58% | 0.582 | S | S | * | * | trans | -39.9 | 119.9 | 158.2 | -77.4 | -166.3 | 171.7 | -167.7 | 0 | 104.9 | E371 D375 | E371-K373 PolarHBondContact O-N 3.27Å; K373-D375 PolarHBondContact O-N 2.87Å | ||
| 374 | H | 37.2 | Very low | 52 | Low | 132 Ų | 132 | 111.3 Ų | 111.3 | 61% | 0.611 | 61% | 0.608 | S | S | * | * | trans | -73.1 | 81.1 | -177 | -174.6 | 60.8 | 0 | 0 | 0 | 106.6 | R372 P376 Y379 | R372-H374 PolarHBondContact O-N 3.1Å; H374-P376 WeakPolarHBondContact O-CD 3.27Å; H374-Y379 PolarHBondContact CE1-OH 3.25Å; H374-Y379 VanDerWaalsContact CE1-OH 3.3Å; H374-Y379 PolarHBondContact NE2-OH 2.62Å | ||
| 375 | D | 35.2 | Very low | 50 | Low | 124 Ų | 124 | 113.9 Ų | 113.9 | 66% | 0.663 | 63% | 0.626 | S | S | * | * | trans | -60.8 | 111 | 166.5 | -157.3 | -17.7 | 0 | 0 | 0 | 105.3 | K373 S377 | K373-D375 PolarHBondContact O-N 2.87Å; D375-S377 PolarHBondContact O-N 3.46Å | ||
| 376 | P | 41 | Very low | 47.8 | Very low | 95 Ų | 95 | 118 Ų | 118 | 62% | 0.617 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -66.9 | -2.5 | -167 | -22.4 | 35.1 | 0 | 0 | 0 | 114.1 | H374 S378 | H374-P376 WeakPolarHBondContact O-CD 3.27Å; P376-S378 VanDerWaalsContact C-N 3.25Å; P376-S378 PolarHBondContact O-N 2.97Å |
| 377 | S | 38.8 | Very low | 45.5 | Very low | 94 Ų | 94 | 123 Ų | 123 | 66% | 0.657 | 69% | 0.685 | S | S | * | * | trans | -78.3 | 27 | -169.1 | -170.1 | 0 | 0 | 0 | 0 | 115.6 | D375 | D375-S377 PolarHBondContact O-N 3.46Š| ||
| 378 | S | 35.7 | Very low | 43.5 | Very low | 97 Ų | 97 | 119.3 Ų | 119.3 | 68% | 0.678 | 69% | 0.686 | S | S | * | * | trans | -130.9 | 48 | -173.6 | -175.2 | 0 | 0 | 0 | 0 | 114.6 | P376 | P376-S378 VanDerWaalsContact C-N 3.25Å; P376-S378 PolarHBondContact O-N 2.97Å | ||
| 379 | Y | 39.3 | Very low | 42.1 | Very low | 151 Ų | 151 | 122.4 Ų | 122.4 | 59% | 0.592 | 71% | 0.706 | S | S | * | * | trans | -129.1 | 104.3 | 164.5 | -54.6 | -77.3 | 0 | 0 | 0 | 107.4 | H374 | H374-Y379 PolarHBondContact CE1-OH 3.25Å; H374-Y379 VanDerWaalsContact CE1-OH 3.3Å; H374-Y379 PolarHBondContact NE2-OH 2.62Å | ||
| 380 | S | 36.4 | Very low | 40.8 | Very low | 99 Ų | 99 | 124 Ų | 124 | 69% | 0.692 | 71% | 0.711 | S | S | * | * | 84.1 | 103.4 | 87.4 | -175.9 | 0 | 0 | 0 | 0 | 112 | |||||
| 381 | Y | 35 | Very low | 40 | Very low | 137 Ų | 137 | 126.8 Ų | 126.8 | 54% | 0.537 | 72% | 0.719 | S | S | . | * | trans | -103.4 | 123.8 | -161.3 | -63.8 | -83.2 | 0 | 0 | 0 | 111.7 | E22 D23 | E22-Y381 HydrophobicContact CB-CD1 4.18Å; D23-Y381 WeakPolarHBondContact O-CA 3.43Å; D23-Y381 WeakPolarHBondContact O-CD1 3.37Å | ||
| 382 | G | 38.8 | Very low | 39.7 | Very low | 54 Ų | 54 | 126.9 Ų | 126.9 | 56% | 0.557 | 72% | 0.719 | S | S | * | * | trans | 166.9 | 136.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | D23 | D23-G382 VanDerWaalsContact OD2-CA 3.27Å; D23-G382 WeakPolarHBondContact OD2-CA 3.33Å | ||
| 383 | A | 36.8 | Very low | 40 | Very low | 89 Ų | 89 | 120.9 Ų | 120.9 | 74% | 0.736 | 71% | 0.711 | S | S | * | * | cis | -162.6 | 131.6 | -0.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | D23 | D23-A383 WeakPolarHBondContact OD1-CA 3.47Š| ||
| 384 | A | 42.2 | Very low | 40.3 | Very low | 85 Ų | 85 | 118.1 Ų | 118.1 | 70% | 0.702 | 71% | 0.709 | S | S | * | * | trans | 85.2 | 152.8 | 154.4 | 0 | 0 | 0 | 0 | 0 | 121.9 | D23 | D23-A384 PolarHBondContact OD1-N 2.78Š| ||
| 385 | P | 47.2 | Very low | 40.6 | Very low | 119 Ų | 119 | 121.1 Ų | 121.1 | 77% | 0.773 | 72% | 0.721 | S | S | * | * | trans | -118.1 | 169.2 | -160.3 | 42.8 | -32.2 | 0 | 0 | 0 | 116.5 | ||||
| 386 | T | 42.4 | Very low | 41 | Very low | 146 Ų | 146 | 118.6 Ų | 118.6 | 90% | 0.896 | 72% | 0.724 | S | S | * | * | trans | -164.6 | 161.8 | 154.7 | 14.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 387 | P | 39.8 | Very low | 40.9 | Very low | 113 Ų | 113 | 117.3 Ų | 117.3 | 73% | 0.734 | 73% | 0.728 | S | S | * | * | trans | -118 | 156.5 | -138.1 | 41.5 | -36 | 0 | 0 | 0 | 119.2 | ||||
| 388 | A | 43.9 | Very low | 41 | Very low | 90 Ų | 90 | 123.3 Ų | 123.3 | 74% | 0.744 | 74% | 0.742 | S | S | * | * | trans | 35.9 | 139 | 139 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 389 | P | 42.6 | Very low | 41.4 | Very low | 102 Ų | 102 | 122.8 Ų | 122.8 | 66% | 0.662 | 74% | 0.744 | S | S | * | * | -160.5 | 152.1 | 71.3 | 36.2 | -13.3 | 0 | 0 | 0 | 121 | |||||
| 390 | F | 38.9 | Very low | 41.3 | Very low | 197 Ų | 197 | 120.4 Ų | 120.4 | 86% | 0.864 | 76% | 0.756 | S | S | * | * | trans | 52 | 149.7 | 149.6 | -44 | -48.5 | 0 | 0 | 0 | 119.5 | ||||
| 391 | V | 40.8 | Very low | 41.5 | Very low | 144 Ų | 144 | 120.2 Ų | 120.2 | 87% | 0.873 | 76% | 0.76 | S | S | * | * | -160.8 | 150.3 | 52.4 | -155 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 392 | H | 43.1 | Very low | 42 | Very low | 177 Ų | 177 | 118.7 Ų | 118.7 | 82% | 0.819 | 77% | 0.767 | S | S | * | * | trans | -92.6 | 169.7 | 169.1 | -93.5 | -72.3 | 0 | 0 | 0 | 112.9 | ||||
| 393 | P | 49.4 | Very low | 42 | Very low | 113 Ų | 113 | 127.2 Ų | 127.2 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | -149.1 | 142.9 | 107.3 | 36 | -18.6 | 0 | 0 | 0 | 118 | |||||
| 394 | T | 41.5 | Very low | 41.9 | Very low | 123 Ų | 123 | 126.3 Ų | 126.3 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | 72.4 | 148 | 127.9 | -139.1 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 395 | F | 43.7 | Very low | 41.7 | Very low | 195 Ų | 195 | 126.9 Ų | 126.9 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | cis | -157 | 136.4 | 16.3 | -177.5 | -101.8 | 0 | 0 | 0 | 114.8 | ||||
| 396 | G | 43.5 | Very low | 41.3 | Very low | 70 Ų | 70 | 130.7 Ų | 130.7 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | trans | 69.2 | 138.2 | 145.2 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 397 | G | 40.1 | Very low | 40.9 | Very low | 68 Ų | 68 | 127.5 Ų | 127.5 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | cis | 165.7 | 156.5 | -9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 398 | F | 40.4 | Very low | 40.8 | Very low | 220 Ų | 220 | 127.6 Ų | 127.6 | 97% | 0.965 | 80% | 0.804 | S | S | * | * | trans | 62.8 | 152.2 | 169.1 | -81 | -111.6 | 0 | 0 | 0 | 117.9 | ||||
| 399 | A | 43.5 | Very low | 40.3 | Very low | 87 Ų | 87 | 127.3 Ų | 127.3 | 72% | 0.719 | 81% | 0.81 | S | S | * | * | cis | -179 | 159.3 | -18.8 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 400 | A | 37.6 | Very low | 39.8 | Very low | 101 Ų | 101 | 131.5 Ų | 131.5 | 84% | 0.835 | 83% | 0.826 | S | S | * | * | cis | -166.3 | 177.6 | -18.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 401 | A | 40.3 | Very low | 39.7 | Very low | 94 Ų | 94 | 125.5 Ų | 125.5 | 78% | 0.777 | 82% | 0.819 | S | S | * | * | trans | -92.1 | -169.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 402 | P | 45.5 | Very low | 39.4 | Very low | 105 Ų | 105 | 127 Ų | 127 | 68% | 0.682 | 82% | 0.821 | S | S | * | * | cis | -149.7 | -168.2 | 38.2 | 31.9 | -3.5 | 0 | 0 | 0 | 117.8 | ||||
| 403 | Y | 37.9 | Very low | 39 | Very low | 234 Ų | 234 | 123.5 Ų | 123.5 | 92% | 0.918 | 82% | 0.822 | S | S | * | * | trans | 72.7 | 138 | 173.6 | -69.3 | -95.8 | 0 | 0 | 0 | 117.7 | ||||
| 404 | G | 35.1 | Very low | 38.5 | Very low | 70 Ų | 70 | 121.4 Ų | 121.4 | 72% | 0.722 | 82% | 0.822 | S | S | * | * | cis | 158.1 | 154.2 | -6.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 405 | A | 38.4 | Very low | 38.5 | Very low | 97 Ų | 97 | 119 Ų | 119 | 80% | 0.802 | 81% | 0.81 | S | S | * | * | trans | 80 | 104.3 | 165.4 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 406 | M | 39.2 | Very low | 38.3 | Very low | 199 Ų | 199 | 117 Ų | 117 | 98% | 0.98 | 80% | 0.801 | S | S | * | * | 58.6 | 135.1 | 127.3 | -63.6 | -168.1 | 172.2 | 0 | 0 | 123.1 | |||||
| 407 | G | 34.4 | Very low | 38.2 | Very low | 78 Ų | 78 | 117.6 Ų | 117.6 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | 142.1 | 91 | 135.7 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 408 | A | 36.7 | Very low | 38.1 | Very low | 115 Ų | 115 | 119.7 Ų | 119.7 | 95% | 0.95 | 79% | 0.786 | S | S | * | * | trans | -53.3 | 153.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 409 | G | 34.4 | Very low | 38.3 | Very low | 85 Ų | 85 | 113 Ų | 113 | 88% | 0.876 | 76% | 0.764 | S | S | * | * | trans | 171.2 | 112.6 | 163.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 410 | L | 31.6 | Very low | 38 | Very low | 189 Ų | 189 | 115 Ų | 115 | 99% | 0.99 | 76% | 0.76 | S | S | * | * | trans | -106.5 | 141.6 | -169.9 | -165.5 | 80.6 | 0 | 0 | 0 | 112.9 | ||||
| 411 | G | 37.6 | Very low | 38.4 | Very low | 71 Ų | 71 | 114.6 Ų | 114.6 | 73% | 0.732 | 74% | 0.743 | S | S | * | * | trans | 144.9 | 120.5 | 160.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 412 | I | 33.1 | Very low | 38.5 | Very low | 177 Ų | 177 | 119.9 Ų | 119.9 | 91% | 0.908 | 74% | 0.744 | S | S | * | * | trans | -137.5 | 150.2 | -179.4 | -55.6 | 175.5 | 0 | 0 | 0 | 110.9 | ||||
| 413 | A | 36.1 | Very low | 38.5 | Very low | 102 Ų | 102 | 117.4 Ų | 117.4 | 84% | 0.843 | 74% | 0.738 | S | S | * | * | trans | -151.1 | 144.1 | 163.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 414 | G | 39.2 | Very low | 38.7 | Very low | 70 Ų | 70 | 119 Ų | 119 | 72% | 0.722 | 74% | 0.743 | S | S | * | * | trans | 117.5 | 73.3 | 148.6 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 415 | S | 40.3 | Very low | 39.4 | Very low | 72 Ų | 72 | 118.2 Ų | 118.2 | 50% | 0.503 | 73% | 0.734 | S | S | . | * | 39.1 | 148.3 | 129.4 | 56.2 | 0 | 0 | 0 | 0 | 128.8 | A457 | S415-A457 VanDerWaalsContact O-CB 3.27Å; S415-A457 WeakPolarHBondContact O-CB 3.27Å | |||
| 416 | F | 40.3 | Very low | 40.1 | Very low | 153 Ų | 153 | 118.8 Ų | 118.8 | 67% | 0.671 | 74% | 0.739 | S | S | * | * | trans | 93.7 | 106.9 | 152.2 | -62.8 | -77.6 | 0 | 0 | 0 | 126.3 | A457 | F416-A457 HydrophobicContact CB-CB 4.05Å; F416-A457 HydrophobicContact CD2-CB 3.92Å; F416-A457 HydrophobicContact CG-CB 4.45Å | ||
| 417 | S | 40.9 | Very low | 40.9 | Very low | 82 Ų | 82 | 114 Ų | 114 | 57% | 0.573 | 72% | 0.716 | S | S | * | * | 91.4 | 129.8 | 113.9 | 93.3 | 0 | 0 | 0 | 0 | 128.5 | |||||
| 418 | Q | 38.7 | Very low | 42.1 | Very low | 113 Ų | 113 | 114 Ų | 114 | 53% | 0.528 | 70% | 0.701 | S | S | . | * | trans | 75.3 | 158.1 | 149 | -54.7 | -51.7 | -29.6 | 0 | 0 | 123.7 | M436 | Q418-M436 VanDerWaalsContact C-SD 3.5Å; Q418-M436 WeakPolarHBondContact CA-SD 3.35Å; Q418-M436 PolarHBondContact N-SD 3.15Å; Q418-M436 WeakPolarHBondContact O-CE 3.33Å | ||
| 419 | P | 43 | Very low | 43.4 | Very low | 78 Ų | 78 | 116.2 Ų | 116.2 | 51% | 0.506 | 70% | 0.703 | S | S | . | * | cis | -147.7 | 143.9 | -39 | 39.2 | -19.4 | 0 | 0 | 0 | 119.8 | V446 | P419-V446 WeakPolarHBondContact O-CG1 3.35Š| ||
| 420 | M | 38 | Very low | 45.1 | Very low | 129 Ų | 129 | 114.4 Ų | 114.4 | 64% | 0.635 | 68% | 0.684 | S | S | * | * | trans | 45 | 134.9 | 157.8 | -80.5 | -74.3 | -153 | 0 | 0 | 126.2 | ||||
| 421 | I | 46.4 | Very low | 47 | Very low | 94 Ų | 94 | 108.4 Ų | 108.4 | 48% | 0.482 | 65% | 0.652 | S | S | . | * | 170.8 | 152.2 | 128.8 | -90.6 | 170.6 | 0 | 0 | 0 | 114 | Y445 L447 | I421-Y445 PolarHBondContact N-O 3.27Å; I421-L447 HydrophobicContact CB-CB 3.73Å; I421-L447 HydrophobicContact CG2-CB 3.57Å; I421-L447 HydrophobicContact CG2-CD2 3.66Å; I421-L447 HydrophobicContact CG2-CG 4.27Å | |||
| 422 | Y | 41.2 | Very low | 48.7 | Very low | 204 Ų | 204 | 111.6 Ų | 111.6 | 80% | 0.8 | 65% | 0.648 | S | S | * | * | trans | -90.5 | 160.4 | -167.8 | -82.7 | -118.1 | 0 | 0 | 0 | 117.3 | ||||
| 423 | G | 45.1 | Very low | 50.9 | Low | 54 Ų | 54 | 106 Ų | 106 | 56% | 0.557 | 62% | 0.619 | S | S | * | * | trans | 147.1 | 117.6 | 143.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | G425 | G423-G425 VanDerWaalsContact C-N 3.28Å; G423-G425 PolarHBondContact O-N 3.07Å; G423-G425 VanDerWaalsContact O-N 3.11Å | ||
| 424 | R | 42.5 | Very low | 52.9 | Low | 268 Ų | 268 | 103.2 Ų | 103.2 | 100% | 1.011 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -84.6 | 64.1 | 169.3 | -160.9 | -165.3 | -140.5 | -95.5 | 8.9 | 110.8 | ||
| 425 | G | 50.2 | Low | 55 | Low | 53 Ų | 53 | 103.9 Ų | 103.9 | 55% | 0.546 | 58% | 0.582 | S | S | . | * | S | Bend | trans | -146.5 | 167.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | G423 M427 | G423-G425 VanDerWaalsContact C-N 3.28Å; G423-G425 PolarHBondContact O-N 3.07Å; G423-G425 VanDerWaalsContact O-N 3.11Å; G425-M427 PolarHBondContact O-N 3.13Å |
| 426 | A | 54.2 | Low | 56.9 | Low | 109 Ų | 109 | 102.2 Ų | 102.2 | 90% | 0.901 | 57% | 0.567 | S | S | * | * | trans | -58.1 | 113.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 427 | M | 54.8 | Low | 58.8 | Low | 99 Ų | 99 | 101.5 Ų | 101.5 | 49% | 0.488 | 57% | 0.57 | S | S | . | * | trans | -66.8 | 135.4 | -173.5 | -63.3 | -150.8 | -69.8 | 0 | 0 | 110.8 | G425 T429 M433 L447 | G425-M427 PolarHBondContact O-N 3.13Å; M427-T429 PolarHBondContact O-N 3.04Å; M427-M433 HydrophobicContact CE-CG 4.16Å; M427-M433 HydrophobicContact SD-CB 4.45Å; M427-M433 HydrophobicContact SD-CG 3.47Å; M427-M433 WeakPolarHBondContact SD-CG 3.25Å; M427-L447 HydrophobicContact SD-CD1 4.03Å | ||
| 428 | P | 58.9 | Low | 60.7 | Low | 78 Ų | 78 | 101.1 Ų | 101.1 | 51% | 0.506 | 56% | 0.561 | S | S | . | * | trans | -55.5 | 138 | 174.8 | -24.5 | 34.1 | 0 | 0 | 0 | 111 | G430 M431 | P428-G430 PolarHBondContact O-N 2.91Å; P428-M431 HydrophobicContact CB-CG 4.48Å; P428-M431 HydrophobicContact CB-SD 4.07Å; P428-M431 HydrophobicContact CG-SD 3.94Å; P428-M431 PolarHBondContact O-N 3.3Å | ||
| 429 | T | 65.5 | Low | 62.2 | Low | 160 Ų | 160 | 102.4 Ų | 102.4 | 98% | 0.982 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.2 | 111.4 | -176.7 | -44.7 | 0 | 0 | 0 | 0 | 110.6 | M427 | M427-T429 PolarHBondContact O-N 3.04Š|
| 430 | G | 69.4 | Low | 64 | Low | 47 Ų | 47 | 102.9 Ų | 102.9 | 49% | 0.485 | 58% | 0.577 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 111.3 | -8.6 | -180 | 0 | 0 | 0 | 0 | 0 | 116 | P428 P450 | P428-G430 PolarHBondContact O-N 2.91Å; G430-P450 WeakPolarHBondContact O-CD 3.34Å; G430-P450 WeakPolarHBondContact O-CG 3.33Å |
| 431 | M | 72 | Confident | 65.8 | Low | 64 Ų | 64 | 99.8 Ų | 99.8 | 32% | 0.315 | 58% | 0.579 | S | S | . | * | trans | -92.5 | 133.4 | 176.3 | -65 | -179.7 | 176.5 | 0 | 0 | 111.9 | P428 L447 Q449 | P428-M431 HydrophobicContact CB-CG 4.48Å; P428-M431 HydrophobicContact CB-SD 4.07Å; P428-M431 HydrophobicContact CG-SD 3.94Å; P428-M431 PolarHBondContact O-N 3.3Å; M431-L447 HydrophobicContact CB-CD1 3.79Å; M431-L447 HydrophobicContact CB-CD2 4.33Å; M431-L447 HydrophobicContact CB-CG 3.98Å; M431-L447 HydrophobicContact SD-CD2 3.63Å; M431-L447 HydrophobicContact SD-CG 4.18Å; M431-Q449 HydrophobicContact CE-CG 4.37Å | ||
| 432 | Q | 73.8 | Confident | 67.5 | Low | 138 Ų | 138 | 103.7 Ų | 103.7 | 65% | 0.645 | 59% | 0.587 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -115.6 | 132.4 | 178.2 | -176.6 | 171.4 | -16.1 | 0 | 0 | 111 | Q448 | Q432-Q448 PolarHBondContact N-O 2.98Å; Q432-Q448 PolarHBondContact O-N 3.36Å |
| 433 | M | 78.7 | Confident | 69.4 | Low | 60 Ų | 60 | 98.1 Ų | 98.1 | 30% | 0.296 | 57% | 0.574 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81 | 131.4 | 171.9 | -74.2 | -75.2 | -87.3 | 0 | 0 | 110.6 | M427 Y445 V446 L447 | M427-M433 HydrophobicContact CE-CG 4.16Å; M427-M433 HydrophobicContact SD-CB 4.45Å; M427-M433 HydrophobicContact SD-CG 3.47Å; M427-M433 WeakPolarHBondContact SD-CG 3.25Å; M433-Y445 HydrophobicContact CE-CG 4.36Å; M433-V446 CarbonylContact C-O 3.56Å; M433-V446 WeakPolarHBondContact CA-O 3.49Å; M433-L447 HydrophobicContact CG-CD1 3.8Å; M433-L447 HydrophobicContact SD-CB 4.06Å; M433-L447 HydrophobicContact SD-CD1 3.65Å; M433-L447 HydrophobicContact SD-CG 4.47Å |
| 434 | V | 78.1 | Confident | 71 | Confident | 43 Ų | 43 | 96.5 Ų | 96.5 | 26% | 0.261 | 56% | 0.558 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -126.9 | 127.8 | -178.8 | -174.7 | 0 | 0 | 0 | 0 | 109.5 | V446 Q448 | V434-V446 PolarHBondContact N-O 2.98Å; V434-V446 PolarHBondContact O-N 2.84Å; V434-Q448 HydrophobicContact CG2-CB 4.33Å |
| 435 | P | 82.4 | Confident | 73 | Confident | 83 Ų | 83 | 90.1 Ų | 90.1 | 54% | 0.539 | 54% | 0.535 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 148.7 | 176.5 | 30 | -34.4 | 0 | 0 | 0 | 111.8 | V443 Y445 | P435-V443 HydrophobicContact CB-CG1 4.49Å; P435-Y445 HydrophobicContact CB-CD1 4.12Å; P435-Y445 HydrophobicContact CB-CE1 3.81Å |
| 436 | M | 80.9 | Confident | 74.5 | Confident | 37 Ų | 37 | 88.2 Ų | 88.2 | 18% | 0.182 | 51% | 0.512 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 129 | -178 | -173.1 | 162 | -70.7 | 0 | 0 | 111.4 | Q418 G444 V446 | Q418-M436 VanDerWaalsContact C-SD 3.5Å; Q418-M436 WeakPolarHBondContact CA-SD 3.35Å; Q418-M436 PolarHBondContact N-SD 3.15Å; Q418-M436 WeakPolarHBondContact O-CE 3.33Å; M436-G444 PolarHBondContact N-O 2.88Å; M436-G444 PolarHBondContact O-N 3.11Å; M436-V446 HydrophobicContact CB-CG2 3.92Å; M436-V446 HydrophobicContact CE-CG2 3.87Å; M436-V446 HydrophobicContact SD-CG2 3.95Å |
| 437 | L | 80.9 | Confident | 75.6 | Confident | 139 Ų | 139 | 85 Ų | 85 | 73% | 0.728 | 48% | 0.48 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 125.6 | 168 | -115.4 | 69.8 | 0 | 0 | 0 | 109.9 | V443 | L437-V443 HydrophobicContact CD1-CG2 4.17Å |
| 438 | L | 79.3 | Confident | 76.4 | Confident | 73 Ų | 73 | 83.3 Ų | 83.3 | 38% | 0.382 | 47% | 0.471 | S | S | . | . | trans | -83.7 | 157.1 | 168.8 | -80.7 | 78.8 | 0 | 0 | 0 | 110.5 | D440 G441 R442 | L438-D440 WeakPolarHBondContact CB-OD1 3.23Å; L438-D440 PolarHBondContact O-N 2.83Å; L438-D440 VanDerWaalsContact O-N 3.08Å; L438-G441 PolarHBondContact O-N 2.96Å; L438-G441 VanDerWaalsContact O-N 3.15Å; L438-R442 PolarHBondContact N-O 2.94Å | ||
| 439 | P | 71.9 | Confident | 76.6 | Confident | 141 Ų | 141 | 85.5 Ų | 85.5 | 92% | 0.916 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -11 | 175.1 | -23 | 34.7 | 0 | 0 | 0 | 115.3 | ||
| 440 | D | 79.2 | Confident | 76.5 | Confident | 88 Ų | 88 | 82.8 Ų | 82.8 | 47% | 0.471 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 8.3 | 177.9 | 67.8 | -2.2 | 0 | 0 | 0 | 113.4 | L438 R442 | L438-D440 WeakPolarHBondContact CB-OD1 3.23Å; L438-D440 PolarHBondContact O-N 2.83Å; L438-D440 VanDerWaalsContact O-N 3.08Å; D440-R442 VanDerWaalsContact C-N 3.31Å; D440-R442 PolarHBondContact O-N 2.89Å; D440-R442 VanDerWaalsContact OD1-CB 3.3Å; D440-R442 WeakPolarHBondContact OD1-CB 3.17Å; D440-R442 WeakPolarHBondContact OD1-CG 3.45Å; D440-R442 PolarHBondContact OD1-N 3.07Å; D440-R442 WeakPolarHBondContact OD2-CD 3.2Å; D440-R442 IonicContact OD2-NE 3.63Å |
| 441 | G | 77.2 | Confident | 76.3 | Confident | 64 Ų | 64 | 84.3 Ų | 84.3 | 66% | 0.66 | 48% | 0.475 | S | S | * | . | S | Bend | trans | 82.2 | -0.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115 | L438 | L438-G441 PolarHBondContact O-N 2.96Å; L438-G441 VanDerWaalsContact O-N 3.15Å |
| 442 | R | 82.3 | Confident | 75.4 | Confident | 176 Ų | 176 | 88.1 Ų | 88.1 | 66% | 0.664 | 49% | 0.494 | S | S | * | . | trans | -84.3 | 148.4 | 179.8 | -59.4 | 179.1 | 179.7 | 173.6 | -3.9 | 111.8 | L438 D440 | L438-R442 PolarHBondContact N-O 2.94Å; D440-R442 VanDerWaalsContact C-N 3.31Å; D440-R442 PolarHBondContact O-N 2.89Å; D440-R442 VanDerWaalsContact OD1-CB 3.3Å; D440-R442 WeakPolarHBondContact OD1-CB 3.17Å; D440-R442 WeakPolarHBondContact OD1-CG 3.45Å; D440-R442 PolarHBondContact OD1-N 3.07Å; D440-R442 WeakPolarHBondContact OD2-CD 3.2Å; D440-R442 IonicContact OD2-NE 3.63Å | ||
| 443 | V | 80.9 | Confident | 74.6 | Confident | 86 Ų | 86 | 87.4 Ų | 87.4 | 52% | 0.521 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 109.8 | 169.2 | -177.4 | 0 | 0 | 0 | 0 | 108.9 | P435 L437 Y445 | P435-V443 HydrophobicContact CB-CG1 4.49Å; L437-V443 HydrophobicContact CD1-CG2 4.17Å; V443-Y445 HydrophobicContact CG1-CE2 4Å |
| 444 | G | 78.7 | Confident | 73.2 | Confident | 21 Ų | 21 | 90.2 Ų | 90.2 | 22% | 0.216 | 52% | 0.515 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 164.4 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | M436 | M436-G444 PolarHBondContact N-O 2.88Å; M436-G444 PolarHBondContact O-N 3.11Å |
| 445 | Y | 84.4 | Confident | 71.9 | Confident | 134 Ų | 134 | 93 Ų | 93 | 53% | 0.525 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 146.9 | 171.4 | -71.6 | -94.4 | 0 | 0 | 0 | 111 | I421 M433 P435 V443 | I421-Y445 PolarHBondContact N-O 3.27Å; M433-Y445 HydrophobicContact CE-CG 4.36Å; P435-Y445 HydrophobicContact CB-CD1 4.12Å; P435-Y445 HydrophobicContact CB-CE1 3.81Å; V443-Y445 HydrophobicContact CG1-CE2 4Å |
| 446 | V | 82.2 | Confident | 70.3 | Confident | 13 Ų | 13 | 93.4 Ų | 93.4 | 8% | 0.079 | 55% | 0.553 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -128.4 | 130.6 | -169.7 | 179.7 | 0 | 0 | 0 | 0 | 110.3 | P419 M433 V434 M436 | P419-V446 WeakPolarHBondContact O-CG1 3.35Å; M433-V446 CarbonylContact C-O 3.56Å; M433-V446 WeakPolarHBondContact CA-O 3.49Å; V434-V446 PolarHBondContact N-O 2.98Å; V434-V446 PolarHBondContact O-N 2.84Å; M436-V446 HydrophobicContact CB-CG2 3.92Å; M436-V446 HydrophobicContact CE-CG2 3.87Å; M436-V446 HydrophobicContact SD-CG2 3.95Å |
| 447 | L | 76.3 | Confident | 68.5 | Low | 41 Ų | 41 | 93.6 Ų | 93.6 | 22% | 0.215 | 56% | 0.56 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.5 | 108.8 | 176.2 | -165.9 | 69.3 | 0 | 0 | 0 | 110.2 | I421 M427 M431 M433 | I421-L447 HydrophobicContact CB-CB 3.73Å; I421-L447 HydrophobicContact CG2-CB 3.57Å; I421-L447 HydrophobicContact CG2-CD2 3.66Å; I421-L447 HydrophobicContact CG2-CG 4.27Å; M427-L447 HydrophobicContact SD-CD1 4.03Å; M431-L447 HydrophobicContact CB-CD1 3.79Å; M431-L447 HydrophobicContact CB-CD2 4.33Å; M431-L447 HydrophobicContact CB-CG 3.98Å; M431-L447 HydrophobicContact SD-CD2 3.63Å; M431-L447 HydrophobicContact SD-CG 4.18Å; M433-L447 HydrophobicContact CG-CD1 3.8Å; M433-L447 HydrophobicContact SD-CB 4.06Å; M433-L447 HydrophobicContact SD-CD1 3.65Å; M433-L447 HydrophobicContact SD-CG 4.47Å |
| 448 | Q | 71.4 | Confident | 66.7 | Low | 63 Ų | 63 | 92.8 Ų | 92.8 | 29% | 0.294 | 56% | 0.563 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.7 | 134.5 | -175.8 | -165.6 | 171.2 | 19.7 | 0 | 0 | 112 | Q432 V434 | Q432-Q448 PolarHBondContact N-O 2.98Å; Q432-Q448 PolarHBondContact O-N 3.36Å; V434-Q448 HydrophobicContact CG2-CB 4.33Å |
| 449 | Q | 64.1 | Low | 64.9 | Low | 124 Ų | 124 | 93.8 Ų | 93.8 | 58% | 0.579 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -84 | 146.5 | 169.5 | -69 | -172.9 | 6.5 | 0 | 0 | 111.4 | M431 | M431-Q449 HydrophobicContact CE-CG 4.37Š|
| 450 | P | 62.9 | Low | 63.6 | Low | 103 Ų | 103 | 96.7 Ų | 96.7 | 67% | 0.669 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | 133.1 | 172 | -15.4 | 30.8 | 0 | 0 | 0 | 110.9 | G430 | G430-P450 WeakPolarHBondContact O-CD 3.34Å; G430-P450 WeakPolarHBondContact O-CG 3.33Å |
| 451 | G | 64.2 | Low | 61.7 | Low | 79 Ų | 79 | 103.8 Ų | 103.8 | 81% | 0.814 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 106.4 | -0.9 | 168.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 452 | M | 53.2 | Low | 60 | Low | 144 Ų | 144 | 105.9 Ų | 105.9 | 71% | 0.709 | 60% | 0.598 | S | S | * | * | trans | -99.5 | 118.6 | 166.9 | -66.1 | -170.7 | 82.9 | 0 | 0 | 110.5 | ||||
| 453 | P | 56.7 | Low | 57.9 | Low | 123 Ų | 123 | 108.3 Ų | 108.3 | 80% | 0.799 | 61% | 0.607 | S | S | * | * | trans | -72.6 | 131.1 | 179.3 | 28.6 | -33.4 | 0 | 0 | 0 | 111.5 | A455 | P453-A455 PolarHBondContact O-N 2.78Š| ||
| 454 | M | 50.3 | Low | 55.9 | Low | 119 Ų | 119 | 113.9 Ų | 113.9 | 59% | 0.586 | 62% | 0.619 | S | S | * | * | trans | -70.8 | 107 | 169.5 | -66.4 | -73.4 | -82.7 | 0 | 0 | 109.2 | A456 | M454-A456 PolarHBondContact O-N 3.28Š| ||
| 455 | A | 51.6 | Low | 54.4 | Low | 102 Ų | 102 | 118.4 Ų | 118.4 | 84% | 0.843 | 64% | 0.638 | S | S | * | * | trans | -80.1 | 100.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | P453 | P453-A455 PolarHBondContact O-N 2.78Š| ||
| 456 | A | 46.9 | Very low | 52.4 | Low | 91 Ų | 91 | 118.5 Ų | 118.5 | 75% | 0.752 | 65% | 0.648 | S | S | * | * | trans | -72.6 | 166 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | M454 | M454-A456 PolarHBondContact O-N 3.28Š| ||
| 457 | A | 43.1 | Very low | 50.5 | Low | 41 Ų | 41 | 127.9 Ų | 127.9 | 34% | 0.339 | 68% | 0.682 | S | S | . | * | trans | -62 | 173.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | S415 F416 | S415-A457 VanDerWaalsContact O-CB 3.27Å; S415-A457 WeakPolarHBondContact O-CB 3.27Å; F416-A457 HydrophobicContact CB-CB 4.05Å; F416-A457 HydrophobicContact CD2-CB 3.92Å; F416-A457 HydrophobicContact CG-CB 4.45Å | ||
| 458 | P | 44.8 | Very low | 48.9 | Very low | 123 Ų | 123 | 133.9 Ų | 133.9 | 80% | 0.799 | 71% | 0.714 | S | S | * | * | -151.3 | 179.4 | 69.2 | 35.5 | -12 | 0 | 0 | 0 | 116.2 | |||||
| 459 | P | 41.2 | Very low | 47.5 | Very low | 94 Ų | 94 | 139.2 Ų | 139.2 | 61% | 0.61 | 74% | 0.744 | S | S | * | * | trans | -99.2 | 143 | -175.9 | 36.3 | -32.4 | 0 | 0 | 0 | 114.6 | ||||
| 460 | Q | 44.6 | Very low | 46.4 | Very low | 202 Ų | 202 | 136.2 Ų | 136.2 | 94% | 0.944 | 75% | 0.747 | S | S | * | * | trans | -147.9 | 153.1 | 160.7 | -73.1 | -155.2 | -11.4 | 0 | 0 | 114.3 | ||||
| 461 | R | 39.2 | Very low | 45.4 | Very low | 236 Ų | 236 | 136.9 Ų | 136.9 | 89% | 0.891 | 75% | 0.754 | S | S | * | * | trans | -88.1 | -170.5 | 174.9 | -49.8 | 176.1 | 170.1 | -168.4 | -3.1 | 110.5 | ||||
| 462 | P | 41.5 | Very low | 44.6 | Very low | 109 Ų | 109 | 138.4 Ų | 138.4 | 71% | 0.708 | 75% | 0.752 | S | S | * | * | cis | -127.9 | -166.6 | -30.1 | 24.1 | -0.3 | 0 | 0 | 0 | 112.4 | ||||
| 463 | R | 37.5 | Very low | 44 | Very low | 226 Ų | 226 | 135.7 Ų | 135.7 | 85% | 0.853 | 76% | 0.761 | S | S | * | * | trans | 84.9 | 117.2 | 161.8 | -56.9 | -172.2 | 176.3 | 175.9 | -0.6 | 117.5 | ||||
| 464 | R | 40.1 | Very low | 43.4 | Very low | 204 Ų | 204 | 132.9 Ų | 132.9 | 77% | 0.77 | 76% | 0.755 | S | S | * | * | trans | -130.6 | 100.5 | 148.1 | -167.7 | 177.1 | -166.5 | 175.4 | 7.4 | 108.5 | ||||
| 465 | N | 46.3 | Very low | 43.1 | Very low | 116 Ų | 116 | 133.7 Ų | 133.7 | 62% | 0.62 | 77% | 0.772 | S | S | * | * | trans | -61.6 | 144.5 | 164.9 | -90.9 | 56.8 | 0 | 0 | 0 | 109.9 | ||||
| 466 | D | 42.1 | Very low | 42.7 | Very low | 136 Ų | 136 | 132 Ų | 132 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | trans | 40.2 | 115.2 | 138.2 | -47.2 | -48.8 | 0 | 0 | 0 | 119 | ||||
| 467 | R | 42.4 | Very low | 42.7 | Very low | 210 Ų | 210 | 139 Ų | 139 | 79% | 0.792 | 77% | 0.771 | S | S | * | * | trans | -131.5 | 142.6 | 148.5 | -79.4 | -171.7 | 170 | -176.4 | -4.9 | 109.9 | ||||
| 468 | N | 41.7 | Very low | 42.9 | Very low | 167 Ų | 167 | 142.9 Ų | 142.9 | 89% | 0.893 | 79% | 0.787 | S | S | * | * | trans | 66.5 | 95 | 172 | -86.9 | 12.1 | 0 | 0 | 0 | 117.8 | ||||
| 469 | N | 42.7 | Very low | 43 | Very low | 174 Ų | 174 | 143.1 Ų | 143.1 | 93% | 0.93 | 78% | 0.781 | S | S | * | * | -168.2 | 157.4 | 95.3 | -161 | 4.8 | 0 | 0 | 0 | 110.7 | |||||
| 470 | G | 40.7 | Very low | 43.4 | Very low | 62 Ų | 62 | 143.1 Ų | 143.1 | 64% | 0.639 | 78% | 0.783 | S | S | * | * | trans | 100.7 | 72.9 | 157.7 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 471 | S | 43.1 | Very low | 43.6 | Very low | 116 Ų | 116 | 141.3 Ų | 141.3 | 81% | 0.811 | 77% | 0.774 | S | S | * | * | trans | 20.4 | 122.5 | 134.4 | -159.4 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 472 | S | 47 | Very low | 44.1 | Very low | 112 Ų | 112 | 137 Ų | 137 | 78% | 0.783 | 77% | 0.765 | S | S | * | * | 149.2 | 133.7 | 115.9 | 61.4 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 473 | G | 41.2 | Very low | 44.6 | Very low | 87 Ų | 87 | 139.6 Ų | 139.6 | 90% | 0.897 | 77% | 0.767 | S | S | * | * | trans | 70.8 | 138.4 | 167 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 474 | G | 42.6 | Very low | 45.2 | Very low | 64 Ų | 64 | 135.7 Ų | 135.7 | 66% | 0.66 | 76% | 0.763 | S | S | * | * | cis | 164.1 | 147.7 | -3.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 475 | S | 44.9 | Very low | 45.5 | Very low | 135 Ų | 135 | 129.2 Ų | 129.2 | 94% | 0.944 | 76% | 0.76 | S | S | * | * | trans | 66.3 | 138.4 | -176.4 | 76.4 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 476 | G | 42.7 | Very low | 45.6 | Very low | 67 Ų | 67 | 130.3 Ų | 130.3 | 69% | 0.691 | 77% | 0.766 | S | S | * | * | cis | 164.4 | 153.4 | -11.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 477 | R | 46.3 | Very low | 45.9 | Very low | 238 Ų | 238 | 135 Ų | 135 | 90% | 0.898 | 77% | 0.773 | S | S | * | * | trans | 72.1 | 145.2 | 174.6 | -55.8 | 173.1 | 176 | 157.5 | -2.9 | 115.1 | ||||
| 478 | D | 47.9 | Very low | 46 | Very low | 123 Ų | 123 | 128.7 Ų | 128.7 | 66% | 0.658 | 77% | 0.773 | S | S | * | * | cis | -157.7 | 156.6 | -0.2 | -125.7 | -24.3 | 0 | 0 | 0 | 111.8 | ||||
| 479 | N | 46.2 | Very low | 46.3 | Very low | 127 Ų | 127 | 124.3 Ų | 124.3 | 68% | 0.679 | 77% | 0.768 | S | S | * | * | trans | 51.4 | 113.9 | 148.2 | -64.6 | -29.3 | 0 | 0 | 0 | 121.6 | ||||
| 480 | S | 50.6 | Low | 46.9 | Very low | 95 Ų | 95 | 128.3 Ų | 128.3 | 66% | 0.664 | 77% | 0.77 | S | S | * | * | 66.6 | 136.5 | 92.6 | 77.7 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 481 | H | 49.4 | Very low | 47.3 | Very low | 163 Ų | 163 | 137.1 Ų | 137.1 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | cis | -155.9 | 171 | 30.7 | -108.1 | -52.1 | 0 | 0 | 0 | 112.4 | ||||
| 482 | E | 49.7 | Very low | 47.8 | Very low | 146 Ų | 146 | 142.1 Ų | 142.1 | 68% | 0.682 | 79% | 0.786 | S | S | * | * | trans | -29.1 | 159.3 | 156.4 | -67.8 | 130.9 | 101.1 | 0 | 0 | 117.4 | ||||
| 483 | H | 52.1 | Low | 48.2 | Very low | 163 Ų | 163 | 147.5 Ų | 147.5 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | -176.4 | 161.9 | 61.2 | -143.6 | -64.9 | 0 | 0 | 0 | 113.9 | |||||
| 484 | D | 50.2 | Low | 49.1 | Very low | 145 Ų | 145 | 147.7 Ų | 147.7 | 78% | 0.775 | 78% | 0.775 | S | S | * | * | trans | -20.5 | 160.5 | 172.6 | -75.7 | -60.7 | 0 | 0 | 0 | 125.5 | ||||
| 485 | G | 45.4 | Very low | 49.6 | Very low | 68 Ų | 68 | 159.1 Ų | 159.1 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | trans | 137.2 | 87.8 | 141.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 486 | N | 48.2 | Very low | 49.8 | Very low | 139 Ų | 139 | 160.4 Ų | 160.4 | 74% | 0.743 | 79% | 0.793 | S | S | * | * | 65.3 | 136 | 68.5 | -162.7 | 14.4 | 0 | 0 | 0 | 116 | |||||
| 487 | R | 48.7 | Very low | 50.2 | Low | 235 Ų | 235 | 165.3 Ų | 165.3 | 89% | 0.887 | 80% | 0.798 | S | S | * | * | trans | 72.1 | 142.3 | 179.7 | -49.6 | 172.3 | 178.9 | 177.3 | -1.1 | 113.7 | ||||
| 488 | G | 44.5 | Very low | 50.4 | Low | 77 Ų | 77 | 161.2 Ų | 161.2 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | cis | 179.4 | 149.7 | -2.8 | 0 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 489 | G | 48.6 | Very low | 50.6 | Low | 75 Ų | 75 | 163.5 Ų | 163.5 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | 108 | 113.3 | 50.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 490 | R | 54.3 | Low | 50.8 | Low | 258 Ų | 258 | 165.8 Ų | 165.8 | 97% | 0.974 | 81% | 0.808 | S | S | * | * | trans | 102.6 | 134.8 | 167.5 | -56.7 | -172.2 | -173.4 | -111.9 | 2 | 118.9 | ||||
| 491 | R | 50.3 | Low | 50.8 | Low | 246 Ų | 246 | 170.5 Ų | 170.5 | 93% | 0.928 | 82% | 0.818 | S | S | * | * | trans | -76.2 | 148.9 | 173.3 | -55.4 | 164.9 | 172.8 | 173.6 | -5.8 | 111 | ||||
| 492 | Y | 52.1 | Low | 50.9 | Low | 222 Ų | 222 | 171 Ų | 171 | 87% | 0.871 | 82% | 0.822 | S | S | * | * | trans | -157.7 | 135.9 | 133.4 | -148.4 | -108.1 | 0 | 0 | 0 | 112.5 | ||||
| 493 | R | 56.6 | Low | 51 | Low | 225 Ų | 225 | 172.9 Ų | 172.9 | 85% | 0.849 | 83% | 0.833 | S | S | * | * | trans | -120.1 | 162.1 | 156 | -94.4 | -175.3 | 165.6 | -157.7 | -2.7 | 104.6 | ||||
| 494 | P | 60 | Low | 51 | Low | 90 Ų | 90 | 173.8 Ų | 173.8 | 58% | 0.584 | 84% | 0.84 | S | S | * | * | cis | -134.4 | -174.2 | 7.9 | 40.2 | -22.2 | 0 | 0 | 0 | 113.6 | ||||
| 495 | Y | 52.6 | Low | 51 | Low | 305 Ų | 305 | 176.4 Ų | 176.4 | 100% | 1.196 | 85% | 0.845 | S | S | * | * | -135.3 | 0 | 115.6 | -97.1 | -80.5 | 0 | 0 | 0 | 107.9 |
Retrieved 495 of 495 residues in 1669.3 ms
(Link to these results)